data_2k0n_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 2k0n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.868 0.366 . . . . 72.41 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -22.17 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -54.12 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.21 111.104 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -54.81 -29.81 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.91 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -69.88 -51.0 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.839 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.3 77.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.1 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -75.22 -47.41 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -54.74 -51.78 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.859 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.69 -46.76 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.135 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.42 -47.43 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.23 -45.02 84.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 61.15 112.485 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.57 -40.9 98.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 75.03 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -49.37 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.918 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -41.97 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.896 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.13 -59.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.23 111.113 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HB3' HD11 ' A' ' 45' ' ' ILE . 5.8 mp -50.23 -47.04 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.913 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.27 -30.06 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -50.24 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.847 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -76.04 -34.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.05 111.128 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.5 -26.43 63.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -86.06 -30.24 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.19 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.39 -39.95 89.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.917 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -172.83 26.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 54.13 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.34 1.72 57.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 72.41 112.509 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.72 -46.44 1.02 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 62.45 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 73.97 -63.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 50.43 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -68.1 -49.44 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 63.43 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.6 -0.52 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.884 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 45' ' ' ILE . 28.7 m -51.39 -56.55 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.099 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.44 -37.39 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.12 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.96 -43.83 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 53.13 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -62.89 -54.49 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 73.01 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 28' ' ' LEU . 5.1 mm -62.31 -30.73 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 72.43 111.165 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -62.66 -53.84 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -76.47 -35.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -64.47 -53.69 44.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.83 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.84 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.068 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -49.18 74.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -65.86 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.26 -54.76 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.11 -33.33 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.16 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.32 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.13 -49.1 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.1 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.17 -33.1 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.939 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -75.8 -51.0 13.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 72.21 110.915 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.38 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -8.04 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 122.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.53 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -18.98 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.849 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.5 170.22 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.41 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.99 28.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.923 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.03 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.917 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -32.22 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.898 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -69.33 -52.61 25.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -68.24 -27.75 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -70.37 -54.8 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -43.15 79.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -59.51 -29.89 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.861 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.0 -41.86 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.889 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -37.28 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.901 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.0 m -77.31 -36.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 75.31 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.77 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 75.05 111.11 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.7 p -76.16 -42.46 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.159 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.56 -52.66 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.872 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -59.24 -39.74 83.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.84 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -61.21 -46.41 90.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 63.52 110.903 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.17 -24.52 67.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 71.22 111.127 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.89 -46.39 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.938 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -78.96 -23.24 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 74.34 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -81.3 -41.8 21.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 64.12 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.59 -38.99 64.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.838 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -76.66 -25.67 53.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -53.0 -47.86 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.883 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.46 79.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.137 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.94 -45.54 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -77.08 -31.23 55.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 65.43 111.119 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.096 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.91 0.386 . . . . 74.3 110.834 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -72.46 -22.27 61.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 63.23 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.25 59.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 64.25 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.15 -29.6 58.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.852 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -69.86 -51.27 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.853 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.3 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.25 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -75.46 -46.93 29.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.72 -47.7 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 55.51 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.39 -34.19 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 71.11 111.131 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -64.25 -45.08 89.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.94 -32.04 61.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.521 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.1 mt -77.3 -39.87 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 72.54 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.28 -39.5 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -71.01 -39.5 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.933 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -75.85 -57.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.23 111.145 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.9 mt -50.5 -43.7 55.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -69.49 -30.74 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -49.14 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 tt -76.29 -34.79 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.33 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.83 -26.02 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.909 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.8 m -85.69 -30.49 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 65.35 111.08 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.21 -39.8 87.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.9 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -173.74 26.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.93 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.06 -3.72 61.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 74.45 112.489 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.51 -42.62 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 63.14 112.487 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.65 -61.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 72.03 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.4 p -67.97 -49.47 61.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -2.03 42.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 m -51.55 -59.47 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 62.32 111.136 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.97 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.067 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -45.39 36.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 64.52 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.87 -54.73 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.61 -30.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.158 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.2 -52.98 56.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.892 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.41 -30.74 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.12 111.15 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -70.0 -54.17 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.861 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.21 76.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -55.52 33.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.91 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.39 -46.24 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.859 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.71 -53.87 46.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.882 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.6 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.98 70.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 51.4 111.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.71 -49.37 18.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.23 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.26 -31.95 70.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -75.64 -48.82 20.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.887 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.77 75.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -92.62 -2.34 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.89 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.73 120.45 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 71.11 110.845 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 m -87.73 -15.48 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.28 -174.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 71.54 110.828 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -63.62 -33.66 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 61.51 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -41.65 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.927 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.85 -31.93 73.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.6 -51.66 22.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -67.77 -40.59 84.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.894 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.64 -30.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 65.22 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -73.7 -50.56 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.857 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -69.04 -34.76 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.2 110.866 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.17 -27.53 64.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.21 -49.35 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 75.04 110.891 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.05 -37.74 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 m -76.86 -34.87 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 75.11 111.148 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.25 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.45 111.095 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.68 -41.35 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.151 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt -67.76 -52.22 39.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.904 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -62.31 -35.38 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 74.14 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -62.52 -57.39 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -57.6 -24.14 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.121 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.56 -49.44 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.91 -23.4 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -79.95 -46.49 16.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.54 111.18 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -25.96 59.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 71.01 110.888 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -42.55 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.873 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.28 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.121 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.47 -52.02 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.22 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -68.04 -26.88 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 64.23 111.107 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.4 111.086 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.902 0.382 . . . . 61.42 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.53 -22.33 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.32 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 73.43 111.102 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.29 -29.53 58.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -68.88 -50.68 47.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 45.43 111.104 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.59 -46.67 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.852 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -54.54 -51.74 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.1 -48.68 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.87 -48.26 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.47 96.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.466 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.15 -31.66 72.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 71.34 110.899 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -52.33 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.08 -38.98 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.0 t -74.45 -59.38 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 74.25 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.35 -46.13 62.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.81 -30.07 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.906 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -51.52 66.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tt -75.55 -34.72 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.16 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -69.63 -27.12 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.873 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.5 m -86.69 -30.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.115 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.47 -39.68 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -172.78 26.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.26 5.64 49.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 71.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.39 -45.44 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.676 -0.773 . . . . 73.44 112.507 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.16 -61.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 74.22 110.858 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m -68.07 -49.32 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 53.12 110.849 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.52 -4.71 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 70.22 110.85 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.3 m -51.26 -39.03 55.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 65.12 111.106 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 62.12 111.125 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.65 -41.06 61.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.864 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -48.92 63.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.198 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.66 -51.87 44.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.869 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.51 -32.94 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.2 111.139 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -70.87 -54.11 12.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.86 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -53.27 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.861 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.65 -49.86 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -58.99 -51.93 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -45.18 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 62.45 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.11 111.092 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.43 -48.64 21.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.52 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.71 -49.79 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 72.33 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.69 78.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -92.28 -2.17 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 123.05 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.829 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -99.86 -19.43 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.03 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.36 174.32 1.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 71.54 110.874 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -28.95 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -52.45 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.902 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -34.22 74.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.54 -55.72 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.935 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -49.25 78.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.19 -30.39 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -57.49 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.815 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.98 -43.21 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.885 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -59.2 -28.63 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 72.21 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -78.63 -49.81 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -38.58 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.7 m -76.82 -36.09 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.16 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.67 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 63.43 111.085 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -76.95 -41.71 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.129 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 mmt -67.97 -53.11 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.904 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.92 -39.35 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 75.01 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.24 -46.53 89.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.859 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -24.59 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.146 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -74.13 -46.68 41.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -79.75 -23.25 42.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 m -80.46 -42.36 22.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.13 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -74.66 -36.2 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -25.82 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.45 -45.42 80.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 75.44 110.891 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.54 69.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.12 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.04 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 70.34 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -56.71 -31.99 65.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.43 111.123 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 63.13 111.083 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.933 0.396 . . . . 75.24 110.866 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -58.42 -22.44 54.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.93 87.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 64.34 111.046 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -54.91 -28.58 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.862 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -65.13 -50.75 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.89 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.6 94.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.068 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.75 -46.43 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -53.93 -45.23 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.908 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.23 -36.66 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 65.31 111.142 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.38 -46.31 89.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.94 -29.36 69.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 61.2 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.1 mt -77.21 -40.1 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 75.15 110.927 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.2 -39.62 86.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -71.01 -39.29 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 t -75.91 -56.9 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 60.11 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -50.76 -44.03 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.88 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -69.74 -29.62 67.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.87 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.883 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 tp -77.11 -34.21 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.13 111.111 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -70.47 -26.55 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.885 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.9 m -86.06 -30.9 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.52 111.118 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.906 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.5 26.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.25 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.07 4.82 52.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.12 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.57 -47.41 1.0 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 75.5 112.502 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 73.9 -62.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 74.22 110.847 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p -68.12 -49.17 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.86 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -82.73 2.13 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.917 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.2 m -57.91 -59.24 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.176 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.49 -37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.119 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -46.79 24.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -60.95 -54.31 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.91 -30.59 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.126 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -62.34 -53.29 57.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.74 -35.15 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -65.04 -54.61 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.853 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.37 63.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -54.0 -50.93 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.83 -44.34 93.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.07 -54.54 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.59 -45.79 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.12 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -48.8 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.25 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.876 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -75.34 -49.2 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.898 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.05 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 63.22 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -93.49 -3.7 52.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.18 121.75 9.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -92.94 -20.04 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.851 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.62 168.28 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.853 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -29.47 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.31 110.895 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -36.72 55.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.925 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -31.36 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -73.2 -54.31 8.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.905 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -61.89 -37.12 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.897 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.73 -25.98 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -73.79 -49.8 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 61.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -72.37 -41.94 65.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 74.55 110.927 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.87 -28.01 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.83 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -78.56 -49.12 13.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -37.99 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.42 110.917 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.2 -35.7 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 73.41 111.096 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.99 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.9 p -77.53 -42.7 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 72.24 111.126 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.2 mmt -66.87 -51.88 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.885 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.5 -34.99 77.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 73.24 110.879 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.45 -56.58 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.873 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -58.58 -24.09 60.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.35 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -71.23 -48.96 48.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.54 110.919 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -79.9 -23.0 42.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 m -79.57 -43.08 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.184 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.56 -38.15 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -25.9 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.925 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.73 -44.46 81.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.11 79.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.4 111.12 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.35 -54.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.092 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -62.36 -30.86 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.124 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.24 111.111 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.874 0.368 . . . . 62.02 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -72.57 -22.25 61.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.877 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.53 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.095 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.96 -29.88 57.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 73.1 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -67.5 -50.86 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.17 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.085 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -48.78 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -49.5 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.3 -49.91 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.2 -48.29 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.39 94.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.56 -38.84 92.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 73.52 110.927 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -52.37 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.42 110.934 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -40.48 73.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.947 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.03 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.107 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.74 -48.21 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.0 ptt? -62.87 -29.92 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.887 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -53.48 53.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.12 -34.2 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.22 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.0 OUTLIER -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.857 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.0 m -80.78 -29.39 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.139 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.01 -47.54 84.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 75.41 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -162.94 19.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 61.22 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -83.0 -11.45 81.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 62.42 112.497 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.68 -42.2 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 72.42 112.484 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 75.33 110.862 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -68.09 -47.18 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.97 3.61 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.86 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 m -50.89 -57.12 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 75.33 111.125 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.09 -37.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.55 111.061 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.36 -43.68 32.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -62.97 -54.13 43.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.89 -30.42 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 71.35 111.137 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -63.23 -52.21 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -78.03 -35.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.151 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.31 -54.44 29.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.856 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.93 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.52 -49.34 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.05 -44.29 89.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.01 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.04 -54.71 41.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.49 -45.06 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 70.23 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.34 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.05 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.57 -48.98 20.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.117 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.54 -32.18 70.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.87 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -75.62 -47.34 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.9 80.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.102 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -85.6 -11.16 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 120.84 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.41 110.888 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -92.55 -14.04 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.842 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 -169.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -69.19 -34.58 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -37.08 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.913 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -31.5 69.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -73.99 -53.17 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.959 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.22 98.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 65.15 110.834 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.56 -26.62 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -70.82 -53.87 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -43.17 72.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.2 -28.47 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 74.44 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.78 -49.06 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.826 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -59.47 -38.54 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.943 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -76.84 -36.5 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 70.42 111.124 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 64.15 111.107 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -75.3 -43.06 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.14 111.104 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.7 mmt -66.61 -52.39 45.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.906 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -58.51 -41.43 85.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 75.03 110.843 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -47.75 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -24.12 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 72.14 111.168 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -46.95 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.917 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.47 -23.76 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 74.52 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -44.25 12.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.154 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.71 -32.79 74.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.867 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -26.35 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.902 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.9 -33.93 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 62.35 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -28.48 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.13 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.36 -54.28 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.13 111.156 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.5 t -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.22 111.137 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.087 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.886 0.374 . . . . 71.32 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -55.82 -22.62 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.849 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -54.1 48.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -29.43 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.897 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -71.2 -40.34 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.64 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.099 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -36.68 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.67 -45.92 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.02 -42.03 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.114 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.54 -49.14 77.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.33 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.93 89.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 65.43 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.17 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 70.3 110.907 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.1 -38.01 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.56 -42.45 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 t -74.31 -56.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.12 111.097 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -49.92 -46.8 52.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.936 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.57 -29.07 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.856 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -50.34 73.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.854 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 tp -76.33 -34.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.101 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.59 -26.58 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 70.54 110.895 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 m -86.0 -30.65 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 70.43 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.96 -39.23 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -174.32 26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.85 -1.91 59.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.88 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 71.23 112.487 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.53 -61.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 70.54 110.848 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -68.12 -49.52 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 71.43 110.842 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.9 -2.18 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.857 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.6 m -51.24 -59.19 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 75.52 111.143 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.47 -38.14 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.05 111.075 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -44.04 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.821 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -63.87 -54.92 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.882 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mm -60.7 -30.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.119 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.81 -52.37 57.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.853 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.85 -29.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 74.53 111.144 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -71.41 -54.17 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.16 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 55.52 111.093 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -64.82 -49.88 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 70.4 110.871 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -64.35 -48.24 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.864 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.84 -54.73 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.01 -45.92 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.13 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.43 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.71 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.7 -31.9 70.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -75.37 -48.56 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.73 -36.15 80.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 73.54 111.093 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -89.29 -7.98 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.833 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 122.06 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.851 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -98.6 -18.29 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 61.32 110.901 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.52 168.97 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.84 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -51.35 -32.99 27.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 75.1 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -34.25 57.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 75.23 110.922 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -33.44 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.874 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -72.74 -53.54 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.917 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.33 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 73.55 110.898 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -70.19 -25.74 63.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 m -73.51 -50.48 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.32 110.819 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.13 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 55.52 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.43 110.902 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.52 -38.26 41.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.03 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -38.09 74.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.87 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.65 -35.87 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 75.41 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.1 91.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p -77.15 -42.46 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.156 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 mmt -67.55 -52.46 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.851 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.57 -34.84 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.914 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.34 -57.4 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.847 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -56.88 -23.76 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -72.97 -48.72 34.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -77.72 -23.32 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 54.14 110.884 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.64 -43.58 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.31 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -71.34 -40.16 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.846 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.59 -25.69 57.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.915 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.75 -48.5 63.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.918 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.89 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.3 111.097 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.62 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.3 t -62.14 -29.99 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.53 111.131 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.52 111.12 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.913 0.387 . . . . 61.55 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -76.3 -21.92 55.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 75.31 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -29.81 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.87 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -72.16 -40.65 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.152 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.22 -38.42 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.941 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -62.82 -48.84 77.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 72.1 110.837 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.01 -44.38 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 70.01 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -56.32 -47.26 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.859 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.26 93.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.523 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.49 -31.72 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 74.43 110.925 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tp -67.26 -55.57 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.875 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.92 -39.37 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.19 -60.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.135 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -51.62 -47.97 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.05 110.943 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -63.1 -29.7 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -53.37 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 74.04 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -75.53 -34.57 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.128 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -64.05 -24.4 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.864 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.4 m -80.62 -29.86 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.15 111.141 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.01 -47.27 87.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -164.65 20.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.45 110.898 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -92.92 -1.97 67.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 74.01 112.479 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.59 -48.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 71.42 112.482 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 74.5 -61.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 54.23 110.823 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.0 p -78.59 -42.98 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.03 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.65 8.2 15.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.891 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -49.41 -64.47 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.11 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.72 -34.59 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.115 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -74.35 -51.83 13.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.2 mttp -62.71 -54.0 45.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 73.05 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.97 -30.25 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.01 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -66.29 -53.33 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.8 pp -76.09 -28.45 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.116 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -73.36 -54.88 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.829 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.96 96.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.73 -52.2 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.43 -49.75 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 70.53 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -54.12 -52.35 61.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.843 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.25 -45.51 68.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.902 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.07 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.02 111.131 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.54 -49.94 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.34 111.083 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.38 -38.78 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -68.59 -40.06 80.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.04 61.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.51 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -2.1 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -67.77 -72.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.13 15.72 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.845 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.62 141.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 64.35 110.846 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.37 74.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -34.01 58.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.903 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.51 -31.71 65.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.908 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -51.86 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.935 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -60.55 -38.62 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.879 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.89 -29.43 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -69.86 -56.42 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.873 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -37.28 86.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.829 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 72.3 110.868 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -37.04 44.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.878 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -71.36 -38.44 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.25 -36.32 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.115 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 p -76.43 -41.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.11 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.55 -53.21 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -41.38 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 62.24 110.877 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.52 -52.51 65.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 p -57.95 -24.98 60.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.114 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -38.65 60.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.956 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.6 -22.78 60.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 74.24 110.867 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -65.32 -50.86 64.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -52.11 -31.27 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.98 -34.69 59.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.62 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.085 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.3 t -71.24 -30.2 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.115 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -26.13 64.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.02 111.113 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 64.21 111.121 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.89 0.376 . . . . 72.23 110.83 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -76.49 -22.28 54.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.917 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.113 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.14 -29.67 58.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -68.86 -50.87 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.31 111.115 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -72.13 -46.56 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -54.6 -51.98 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.899 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.81 -41.45 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.163 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.67 -45.51 91.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.68 63.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.4 mt -65.96 -41.46 91.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 71.51 110.883 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -50.83 69.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.919 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -56.41 -40.05 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.951 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.72 -59.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 45' ' ' ILE . 9.8 mp -50.46 -44.81 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.934 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -67.23 -29.81 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -49.67 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 73.32 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 tt -75.1 -34.79 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.14 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -25.92 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.899 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 m -85.36 -30.61 23.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.14 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.68 -39.72 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.953 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -174.21 26.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 -3.06 61.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 74.24 112.472 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.52 -44.41 1.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.727 . . . . 63.12 112.48 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 74.35 -61.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 75.14 110.889 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -67.97 -49.75 59.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 73.34 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.79 -1.04 45.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.3 110.865 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' HG12 ' A' ' 45' ' ' ILE . 53.7 m -54.43 -58.91 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 63.31 111.137 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.06 -38.04 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 43.44 111.066 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -44.98 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.859 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -54.52 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.831 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 41' ' ' THR . 4.8 mm -62.1 -30.19 48.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.12 111.134 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.01 -52.88 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -78.03 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.111 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -66.75 -53.68 30.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.821 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.46 -51.28 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.056 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -55.2 -51.85 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.41 110.898 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.62 -28.65 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.14 -54.78 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.12 -33.87 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.938 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.05 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.21 111.115 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.33 -49.19 15.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.03 -33.31 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 74.14 110.951 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -75.52 -50.33 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.86 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -32.26 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -95.64 -2.89 47.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.38 121.5 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.861 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.96 -20.11 27.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.848 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 170.08 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 75.3 110.862 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.46 -32.21 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -34.35 55.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.24 110.849 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.81 -31.37 61.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 71.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -70.19 -53.79 15.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.5 ptm -64.28 -42.61 96.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.922 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.54 -26.75 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.829 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -51.66 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.1 110.852 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -71.28 -42.36 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.882 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.37 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -78.74 -37.03 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -71.77 -37.85 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.09 -37.09 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.093 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.37 88.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.32 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.18 -42.66 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.44 111.115 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.9 mmm -66.34 -52.89 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.93 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.864 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.23 -56.67 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -23.98 60.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.34 -50.2 34.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.57 -23.39 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -49.01 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -41.01 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.44 -25.86 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.54 -39.9 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.888 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.01 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.136 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.65 -49.34 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 71.55 111.108 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.4 t -69.35 -25.34 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.095 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.068 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.92 0.391 . . . . 70.53 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -61.49 -22.91 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 71.44 111.093 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.67 -29.38 59.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.882 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -67.04 -50.63 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.51 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -73.79 -49.52 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.26 -51.3 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.916 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.79 -34.12 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.13 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -64.11 -45.29 89.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.84 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 71.51 112.495 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.74 -35.44 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 75.2 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.91 -43.33 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -36.07 72.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.94 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 t -76.37 -59.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.52 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.43 -43.23 54.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -69.02 -31.3 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.919 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -48.39 81.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.835 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -76.15 -34.85 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -69.96 -25.66 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 60.34 110.884 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -85.43 -30.31 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.44 111.149 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.67 -40.54 92.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.22 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.897 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.78 -7.57 66.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 65.45 112.552 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.13 -38.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 65.12 112.537 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.76 -60.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 71.54 110.854 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 t -66.94 -46.73 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 65.45 110.879 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -83.08 3.84 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.923 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.2 m -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.137 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.27 -36.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.14 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -46.59 32.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -54.23 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.864 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -59.58 -30.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.15 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -53.41 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.847 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.99 -29.86 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.131 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -71.75 -55.02 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.832 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.84 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.23 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -52.78 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 74.25 110.902 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.01 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 72.3 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.8 -51.29 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.834 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -45.1 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 75.41 110.905 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.02 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 71.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.56 -49.08 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.099 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.37 -33.91 73.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 75.34 110.884 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -73.99 -41.2 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.56 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.083 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -91.42 -1.87 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.908 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -72.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.846 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.36 12.8 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 51.55 110.852 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -177.78 159.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 70.5 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -32.64 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.919 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.48 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.78 -31.19 59.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.3 -53.83 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.928 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -25.71 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 72.33 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.54 -33.02 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -75.22 -42.11 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -38.43 66.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.934 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.83 -27.39 64.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.89 -49.98 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -38.04 79.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.4 m -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.131 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.27 82.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 63.43 111.098 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.42 -41.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.51 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.7 mmt -67.94 -52.18 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 75.15 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -62.24 -35.35 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.79 -57.4 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.4 t -57.42 -23.96 52.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.162 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.03 -49.42 36.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.78 -23.2 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 -46.13 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 63.51 111.15 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -70.01 -38.29 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -25.87 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.92 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.8 -41.45 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.32 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.136 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.01 -61.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -55.38 -31.32 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 72.35 111.101 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.865 0.365 . . . . 74.51 110.844 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.39 -22.32 63.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.41 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -53.73 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.091 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -55.16 -29.53 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 70.44 110.859 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -70.26 -50.89 35.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.34 77.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.33 111.102 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -47.59 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -54.84 -52.64 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 71.3 110.892 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.39 -43.62 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -57.83 -46.59 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 72.12 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.57 94.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 72.05 112.529 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.69 -35.49 75.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 73.32 110.881 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.27 -38.64 88.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.918 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -70.52 -41.12 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 t -75.39 -57.0 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 61.31 111.088 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -49.62 -45.1 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.55 110.968 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -69.46 -29.48 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.825 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.06 75.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -75.45 -34.63 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.165 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -25.84 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -85.54 -30.18 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 62.41 111.134 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.68 -40.77 93.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.43 110.909 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -171.72 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.916 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.8 -7.32 66.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 73.53 112.451 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.29 -38.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 72.44 112.51 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.73 -60.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 72.43 110.875 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -47.16 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.23 110.9 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -83.09 3.84 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.9 m -59.69 -61.47 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.148 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.34 -36.96 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.01 111.114 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -75.67 -46.03 33.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.875 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -54.44 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.88 -30.6 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.11 111.143 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -64.93 -54.11 35.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.864 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.31 -30.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.086 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.39 -53.6 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.29 97.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.052 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -53.42 39.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.88 -48.97 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 61.52 110.841 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -53.35 -52.4 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.48 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.873 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.49 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 -49.0 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.094 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.59 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -75.63 -47.85 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.53 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -38.08 83.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.119 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -86.21 -10.05 55.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 121.97 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.852 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -93.71 -18.28 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.858 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.36 169.54 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.824 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.52 -33.06 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.23 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.51 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.952 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -36.45 63.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.1 -52.41 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.928 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -39.5 94.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.834 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.81 -25.89 63.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.833 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 -51.33 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.839 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -41.54 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 72.33 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.41 -28.14 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.887 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -60.53 -38.29 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.58 -35.94 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.89 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.52 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -77.3 -41.54 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.11 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.9 mmt -67.41 -50.85 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.859 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -62.85 -35.91 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.86 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.42 -57.05 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -57.68 -24.36 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.35 111.118 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.63 -47.99 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -79.19 -23.09 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 61.21 110.911 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -79.42 -45.16 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.093 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -72.11 -40.64 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.4 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -25.73 63.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.915 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.94 96.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.83 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.7 72.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.102 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.57 -58.44 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.106 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 t -58.79 -30.28 67.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.115 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 75.14 111.086 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.936 0.398 . . . . 54.14 110.814 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -74.8 -22.17 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.51 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.55 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.32 111.103 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.0 -29.92 58.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -68.64 -51.14 45.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.92 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.3 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.857 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.44 -51.49 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.874 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.9 t -68.9 -44.08 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.88 -42.06 79.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.21 50.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.47 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.8 mt -65.62 -39.74 91.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.86 0.362 . . . . 74.25 110.932 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.59 -54.41 16.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 62.24 110.879 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -56.66 -37.6 71.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -76.3 -59.48 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.131 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.19 -38.37 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.942 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -76.2 -25.45 55.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.5 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -49.66 68.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.905 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 tp -75.32 -34.12 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.32 111.122 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 m -86.79 -31.57 20.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.55 111.174 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.23 -40.29 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 72.25 110.913 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -175.92 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.23 -22.0 74.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 60.15 112.53 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.96 21.58 79.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.14 112.528 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -127.52 87.63 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 74.32 110.817 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 p -55.99 -22.78 28.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 71.53 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.09 12.12 6.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.839 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.51 -46.93 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.173 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.09 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 65.34 111.108 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.02 -46.63 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -54.43 45.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.23 -30.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.52 111.158 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -61.86 -53.18 59.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.877 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.9 -34.87 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.52 111.147 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -65.52 -53.34 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.871 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.73 85.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 71.15 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.51 -55.44 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.6 -36.27 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.29 -50.1 61.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.52 -45.96 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.926 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.46 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 72.53 111.099 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.97 -48.98 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.47 -31.97 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.24 -46.74 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.27 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.33 111.094 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -88.33 -9.86 51.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.92 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.71 121.09 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.835 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -22.72 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 53.54 110.87 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 172.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -51.83 -30.4 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.42 110.881 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -36.53 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.26 -30.99 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.89 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -71.2 -55.18 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 73.4 110.906 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -62.07 -42.2 98.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.866 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.99 -28.58 69.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.846 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -71.11 -55.46 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.893 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.1 79.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.53 110.918 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.29 -28.51 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -77.91 -49.99 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.841 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -38.84 80.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -77.42 -34.51 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.117 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.44 111.074 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.5 p -76.63 -43.62 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 75.11 111.131 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt -65.37 -52.61 52.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.869 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.61 -33.71 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.67 -57.21 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -58.08 -23.83 56.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.52 111.092 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -72.03 -50.05 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.23 110.931 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -72.29 -23.91 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.916 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -46.7 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -65.29 -33.54 76.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.838 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -80.21 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.71 -26.08 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.833 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -33.35 19.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.2 111.109 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.73 -30.28 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.05 111.128 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -30.05 64.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.41 111.193 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.107 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.885 0.374 . . . . 73.34 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.65 -22.77 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 62.13 110.894 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.19 85.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.04 111.084 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.75 -30.07 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.961 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -62.37 -50.66 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 71.2 110.859 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.07 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.062 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -48.05 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -53.65 -53.2 55.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 60.22 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.72 -37.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.23 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -58.4 -47.43 83.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -32.45 81.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.772 -0.727 . . . . 60.22 112.525 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -77.24 -33.86 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.44 110.954 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.75 -42.95 80.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.869 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -36.38 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.2 t -75.92 -58.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.11 111.127 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.6 mt -51.26 -45.08 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.921 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -66.67 -31.8 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.883 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -77.01 -34.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 60.25 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.38 -25.95 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.902 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -85.56 -30.46 23.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.55 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.28 -39.33 86.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.877 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -174.42 26.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.08 7.23 43.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 65.42 112.497 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.79 -50.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.491 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 72.54 110.831 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 t -66.75 -48.4 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.55 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 3.69 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 75.55 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 m -50.93 -57.4 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.138 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.38 -37.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.087 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.47 -45.74 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.885 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -61.36 -54.5 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.89 -30.51 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.21 111.155 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.41 -52.88 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.882 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -78.56 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.34 111.121 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -65.72 -53.8 35.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.04 110.831 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.2 -52.34 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.071 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.77 -48.69 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.05 -40.38 82.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.53 -55.46 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -46.54 82.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.842 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -30.05 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.2 -49.72 18.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 54.13 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.3 -31.38 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.934 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.54 -51.64 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.838 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.74 74.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.072 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -94.91 -3.59 48.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.25 123.39 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.22 110.844 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -90.13 -22.86 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 70.25 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.51 172.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.896 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -51.95 -29.95 22.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.874 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -36.99 56.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.892 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -34.77 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 73.41 110.921 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -67.11 -54.64 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.919 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -33.26 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.887 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -61.92 -50.4 72.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.867 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.4 m -62.94 -40.04 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.909 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.4 mmm -65.43 -53.52 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.34 110.837 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.51 -25.82 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.898 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.62 -55.3 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.78 -37.59 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.9 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.54 -35.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.141 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.18 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 75.34 111.085 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.58 -40.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.148 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.3 mmt -71.5 -53.45 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.86 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -58.33 -41.04 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 65.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.01 -52.71 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.865 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.2 p -55.4 -25.88 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.179 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -75.47 -45.43 38.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 60.11 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -76.26 -23.5 54.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.63 -45.73 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 75.52 111.141 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.96 -32.41 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.825 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.81 36.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.888 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.74 -39.14 76.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 72.04 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -38.08 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.096 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.64 -46.38 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.132 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -74.31 -28.89 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.122 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 63.51 111.105 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.862 0.363 . . . . 74.41 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -72.07 -22.34 61.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 70.13 110.902 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.84 52.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.13 111.1 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.1 -29.62 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -70.13 -51.0 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.824 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.38 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.075 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -46.58 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.927 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -54.59 -48.86 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 71.04 110.913 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.08 -34.54 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.104 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -64.06 -44.31 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.96 -31.92 61.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.5 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -77.59 -39.92 43.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.42 110.9 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.0 -40.76 87.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.956 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -70.57 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.05 110.929 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 t -74.55 -57.99 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.15 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.82 -47.57 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.914 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -65.96 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.86 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -53.81 53.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 53.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -77.04 -34.66 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.137 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.1 t30 -64.12 -23.51 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.901 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 m -80.77 -29.26 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.09 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.935 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -162.49 19.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.836 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -85.49 -8.76 80.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.23 112.493 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.36 -43.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.75 . . . . 73.14 112.523 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 71.51 110.893 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -68.54 -46.66 68.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 70.54 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.78 2.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.852 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -50.47 -57.47 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.29 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.42 111.058 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -45.51 26.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.22 110.871 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.73 -54.4 43.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.87 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.34 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.64 -52.69 62.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.854 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.95 -35.36 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -64.87 -54.19 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.857 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.24 61.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -53.92 -53.73 48.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.892 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.84 -44.23 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -45.55 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.888 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 72.55 111.119 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.32 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.085 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.45 -31.87 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.915 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -75.8 -47.28 26.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.882 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.82 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 65.43 111.126 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -86.99 -8.6 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 121.12 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.843 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -93.38 -16.84 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 72.15 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 168.51 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.88 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.44 -34.16 33.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 75.1 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.86 57.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.884 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -73.64 -35.51 65.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 75.1 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -65.79 -51.92 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.932 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -41.32 89.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.27 -30.2 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.84 -52.17 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.815 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.864 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -68.56 -27.5 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.33 -50.04 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.85 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.3 m -77.25 -36.3 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.108 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.79 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.088 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.17 -42.66 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.119 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.1 mmt -67.38 -52.63 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -59.2 -40.81 86.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.867 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -59.86 -49.37 77.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -24.39 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.53 111.069 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -47.35 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 75.25 110.924 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -44.7 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.093 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -67.01 -33.51 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.838 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -25.85 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 70.31 110.87 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.99 -33.12 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 62.24 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.9 -30.8 21.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.13 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.43 -47.84 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.138 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -69.76 -27.54 65.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.126 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.054 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.893 0.378 . . . . 73.11 110.839 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.05 -22.25 58.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.01 110.87 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.12 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 75.34 111.102 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -55.06 -29.6 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.913 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.52 -50.99 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.884 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.95 85.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.092 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -44.43 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.919 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.56 -48.97 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.82 -39.03 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.108 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.884 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.88 81.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 71.33 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.1 -37.0 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 75.22 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -53.48 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 71.45 110.92 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.96 -37.41 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.5 t -74.67 -60.34 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.54 111.126 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 45' ' ' ILE . 1.4 mm? -52.48 -45.46 66.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.928 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -64.53 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 55.14 110.86 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -48.62 77.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 75.35 110.849 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.03 -34.85 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.01 111.112 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -26.11 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.887 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 m -85.74 -29.89 23.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 71.54 111.191 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.95 -40.52 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.93 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -171.81 26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.64 -2.39 61.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.489 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.48 -42.93 1.27 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 63.41 112.471 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 75.25 110.838 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -67.12 -50.5 61.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.866 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.26 -6.04 59.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 71.43 110.849 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.433 ' O ' HG12 ' A' ' 45' ' ' ILE . 20.4 m -48.03 -60.07 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 72.24 111.133 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.47 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -44.16 82.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.82 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -45.81 90.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 41' ' ' THR . 3.3 mm -62.7 -29.97 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.24 111.115 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -68.59 -51.15 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.5 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.97 -27.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.168 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -75.76 -55.19 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.888 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.15 77.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.075 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.05 -49.02 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.945 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.05 110.874 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -55.85 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.33 -46.88 69.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.93 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.44 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.51 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 73.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.33 -31.57 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.954 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.37 -49.63 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 -34.23 77.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.45 111.091 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -91.1 -6.55 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.944 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.82 121.87 10.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 74.03 110.851 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.1 m -91.47 -19.12 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 75.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.2 170.68 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 64.11 110.838 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -51.62 -32.85 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 74.45 110.952 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -34.56 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.902 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.888 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.41 -52.68 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.5 110.92 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptm -64.32 -39.3 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.849 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.13 -31.03 71.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.881 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -71.35 -49.77 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.889 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 ptm -70.78 -42.39 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.54 110.874 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -60.92 -31.23 70.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 70.12 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -78.29 -37.64 44.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 51.43 110.879 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -37.82 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.69 -36.42 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 74.35 111.159 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.94 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.127 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.29 -42.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.159 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.7 mmt -68.19 -53.54 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 75.13 110.856 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -57.83 -39.68 78.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.878 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.76 -48.83 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -24.96 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.129 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.36 -47.39 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.883 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.22 -23.22 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.15 110.898 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.34 -44.34 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.12 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -69.5 -36.36 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.53 110.851 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -79.57 -25.92 41.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.897 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.63 -41.14 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.46 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.074 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.2 -50.3 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.117 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.9 t -69.68 -29.4 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.174 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.114 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.844 0.354 . . . . 71.35 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.81 -22.26 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.61 55.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -54.93 -29.74 57.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -69.15 -50.92 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.32 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.34 83.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 65.42 111.092 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -73.22 -47.13 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.894 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.52 -52.36 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.18 -40.47 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.115 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 -39.16 57.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 61.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.42 -40.68 81.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 74.4 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.37 -53.36 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.931 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.3 -38.45 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.906 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 t -75.34 -59.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.05 111.19 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -51.98 -41.14 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -73.64 -25.31 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.894 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -49.5 69.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.914 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.99 -34.59 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.167 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -31.52 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 75.01 110.892 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -86.98 -31.57 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 75.33 111.128 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.48 -40.13 65.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -175.39 25.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.92 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.61 -22.8 75.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 64.41 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.09 25.49 68.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 71.03 112.476 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.74 88.93 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 63.42 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 p -55.78 -29.39 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.11 110.826 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.17 11.94 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.53 110.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 45' ' ' ILE . 1.8 t -45.96 -49.07 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 72.13 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.13 -35.14 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 62.22 111.093 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.0 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 62.35 110.868 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -63.92 -33.89 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 41' ' ' THR . 17.4 mm -77.08 -31.89 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.09 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -66.31 -45.25 80.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.42 -34.06 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.101 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -73.11 -53.85 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.866 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.67 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.115 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -64.06 -55.91 18.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 73.34 110.912 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -59.01 -37.18 76.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.76 -49.59 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.18 -42.74 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.909 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -29.76 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.78 -48.86 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 55.23 111.075 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.91 -39.42 83.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.91 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.74 -44.09 82.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.08 66.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.35 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -83.63 -2.04 55.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -62.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.06 18.8 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.833 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -163.71 138.05 5.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.845 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -35.8 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 74.55 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.66 57.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.898 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.94 -31.26 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.07 -54.65 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 73.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.48 -27.91 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -53.2 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.14 110.876 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -69.7 -43.74 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 75.22 110.886 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -60.8 -30.29 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.865 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 -38.13 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -37.66 73.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.17 -35.72 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.136 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.93 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.129 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.23 -42.57 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.132 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt -68.6 -53.77 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -58.33 -40.79 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -60.07 -53.37 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -56.49 -25.41 51.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.52 111.146 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.22 -39.21 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 65.44 110.898 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -71.92 -22.88 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.3 110.908 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -43.58 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.04 111.138 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -68.24 -30.82 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -78.61 -31.91 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.942 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.63 -43.75 89.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.911 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.05 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.067 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.8 t -71.36 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 73.2 111.104 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -56.07 -29.32 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.116 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.071 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.869 0.366 . . . . 70.43 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -77.21 -21.6 53.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 53.31 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.36 -57.38 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.24 -30.84 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -69.7 -44.47 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 74.11 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.44 -34.68 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -74.79 -36.79 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 70.4 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -47.58 84.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.93 -43.78 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.082 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -62.22 -44.75 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.896 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -42.62 95.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.477 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -66.3 -32.71 74.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 75.11 110.917 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -55.24 14.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.959 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.84 -38.34 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 72.51 110.934 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -74.71 -60.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.092 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -51.26 -46.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.936 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -65.51 -30.12 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.879 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.51 55.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.883 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 tt -75.91 -34.17 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.106 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.407 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 20.1 t-20 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.7 m -82.14 -29.62 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 74.04 111.154 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -47.44 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.926 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -162.95 19.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.11 -3.17 73.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 74.11 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.97 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 62.43 112.532 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 74.24 110.894 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -48.11 67.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.871 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.86 0.11 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.867 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.7 m -52.36 -60.37 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.139 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.84 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.107 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.75 -48.14 23.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.832 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.2 mttt -61.83 -54.38 42.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.907 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.25 -30.21 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -64.23 -53.9 41.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.6 pp -76.77 -31.11 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.123 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -69.81 -54.89 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.58 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.09 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -52.57 64.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 62.04 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.19 -46.01 92.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.893 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.38 -45.51 69.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.916 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -29.87 70.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 63.51 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.5 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 73.41 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.8 -36.14 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -71.09 -42.77 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.922 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.14 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 63.44 111.08 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -90.38 -1.92 57.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.869 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -71.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.838 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.82 15.48 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 72.01 110.858 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.13 148.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 70.52 110.905 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -42.45 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.57 59.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.888 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.11 -40.27 62.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 61.4 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.29 -48.51 79.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 74.03 110.898 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -70.59 -30.49 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.897 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.24 -32.35 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.868 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -74.54 -45.54 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.888 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -36.0 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.75 -27.75 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.875 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.54 -45.76 24.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.857 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.36 -37.57 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.899 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -77.34 -35.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.139 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.63 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.079 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.07 -42.51 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 72.44 111.173 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.71 -52.48 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.5 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -59.08 -41.39 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 74.03 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -24.37 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 75.31 111.115 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.73 -45.57 43.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.898 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.85 -23.47 64.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.23 -44.91 12.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.53 111.135 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -32.69 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.933 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -26.49 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.05 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.27 -30.21 49.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 64.31 110.876 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.64 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.04 111.107 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 -30.16 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.31 111.121 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -31.36 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 64.21 111.126 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.44 111.116 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.872 0.368 . . . . 74.3 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.38 -22.38 57.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.837 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.97 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.2 -29.5 58.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 70.32 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -70.32 -50.87 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.853 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.39 77.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 73.02 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -47.05 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.886 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -55.64 -52.99 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 74.55 110.902 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.4 -41.21 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 72.42 111.111 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.71 -40.91 96.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 73.54 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.79 -35.18 69.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 72.24 110.932 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.61 -43.71 96.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.65 -33.95 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.4 t -77.12 -60.24 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.138 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HB3' HD13 ' A' ' 45' ' ' ILE . 4.1 mm? -50.46 -39.29 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.929 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -73.49 -29.53 62.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.878 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -49.81 74.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.864 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.5 -33.33 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.1 111.161 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -72.97 -25.16 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 62.44 110.9 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.1 m -84.61 -30.83 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.54 111.13 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.55 -39.73 84.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 71.51 110.911 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -174.7 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.849 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.42 -8.43 64.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.758 -0.734 . . . . 71.2 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -44.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 61.24 112.476 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 72.22 110.833 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.88 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.907 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.64 6.76 19.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 45' ' ' ILE . 29.4 m -58.25 -61.31 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.01 111.095 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.7 -37.65 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 73.5 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.7 -47.36 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 61.04 110.861 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -61.66 -53.89 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.873 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.417 HD13 ' HB3' ' A' ' 28' ' ' LEU . 3.9 mm -60.8 -30.6 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.104 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -63.56 -53.52 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.97 -32.44 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.127 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.97 -54.66 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.84 79.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.113 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -55.32 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.01 -45.15 91.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.884 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.32 -54.41 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.868 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -54.56 -45.51 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.116 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 75.25 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.49 -31.98 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.14 110.907 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -75.46 -49.04 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.881 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.34 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.2 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -93.4 -2.13 55.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.882 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 121.97 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.873 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -84.4 -16.78 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 53.02 110.854 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.32 -177.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.877 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -61.16 -33.91 74.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.892 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -38.49 53.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -68.0 -31.0 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.894 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -72.74 -53.7 10.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 71.41 110.917 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -42.49 94.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.885 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.71 -25.88 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 60.1 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -73.57 -53.5 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -41.86 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.911 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.93 -29.67 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.882 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.79 -34.92 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.845 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -74.15 -33.75 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.86 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.1 m -77.59 -37.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.22 111.082 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.04 72.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.7 p -74.89 -42.19 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 mmt -70.54 -55.54 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.865 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.23 -41.53 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 70.21 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.46 -51.61 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 73.42 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.82 -37.93 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.96 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.12 -22.75 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -54.26 4.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.114 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -58.55 -41.88 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.872 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -25.96 68.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 74.24 110.884 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -31.03 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.889 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.61 -46.02 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.161 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.23 -38.77 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.124 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -75.14 -29.65 60.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 73.22 111.19 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 72.32 111.085 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.891 0.376 . . . . 70.14 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.22 -22.21 64.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -53.21 59.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.113 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.1 -29.48 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.892 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -69.78 -50.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.02 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.126 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -75.5 -46.83 30.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.05 -52.99 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.852 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.64 -44.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.19 -49.13 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 71.3 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.89 95.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 71.3 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.07 -37.08 86.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 75.32 110.897 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -47.71 76.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.933 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -59.4 -40.16 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 t -74.33 -57.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.146 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mp -52.81 -44.9 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.883 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -66.07 -30.79 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.916 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -49.14 75.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.894 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tt -75.64 -34.39 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.41 111.136 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -71.79 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 m -85.5 -29.98 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.157 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.78 -41.3 95.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.892 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -170.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.912 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.22 -2.25 60.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.508 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.47 -41.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.474 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.75 -61.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 71.44 110.86 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -67.76 -50.13 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.53 2.94 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 74.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.2 m -55.29 -62.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.131 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.77 -33.95 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.077 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.0 -51.21 26.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -64.11 -40.1 95.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.4 -31.78 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.172 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -70.88 -49.95 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.823 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.59 -31.83 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.23 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -74.33 -56.2 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.884 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.05 -36.52 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 65.44 111.084 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -74.41 -49.43 22.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.4 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.28 -50.09 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 70.35 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -46.51 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.892 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.79 -46.05 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.48 -29.89 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.58 -49.34 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.02 111.101 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.2 -35.88 76.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 75.53 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -70.99 -47.6 57.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.832 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.61 -30.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 43.54 111.082 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.81 -1.49 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -68.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.877 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 15.69 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 73.15 110.851 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -176.13 145.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.876 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.88 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.906 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -43.96 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.72 -31.13 59.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.86 -57.01 9.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -39.26 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 71.53 110.892 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.88 -30.39 71.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 m -73.6 -52.95 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.866 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -27.16 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.1 110.887 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -74.97 -31.59 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.93 -34.95 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.4 -36.41 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.3 m -76.94 -37.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 72.3 111.09 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.19 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.08 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.6 -42.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.136 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.89 -52.23 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -61.8 -35.52 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.873 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -62.8 -57.62 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 73.21 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -56.63 -24.08 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.24 111.163 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.29 -49.56 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -76.71 -23.4 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.878 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -80.62 -46.95 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.13 111.147 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.49 -36.46 78.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.43 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.93 57.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 75.42 110.921 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -46.44 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.877 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.74 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 72.35 111.101 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.89 -61.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.123 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -57.59 -28.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.53 111.104 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.108 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.908 0.385 . . . . 74.05 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -76.83 -21.99 54.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.74 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.054 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -54.8 -29.86 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.881 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -69.36 -51.03 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.833 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.66 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.01 111.103 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -73.27 -45.25 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -54.23 -52.91 59.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.852 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.36 -35.9 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.163 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -63.89 -39.6 94.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 71.04 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.97 -32.64 52.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.484 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.3 -41.75 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 74.41 110.873 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.96 -51.93 34.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.893 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.36 -36.77 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.941 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -77.3 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.155 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.18 -39.18 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -75.06 -26.65 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.892 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -48.9 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.53 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.0 -34.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.24 111.147 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.1 -32.76 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.89 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -87.17 -31.95 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.141 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.89 -40.06 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.936 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -175.86 26.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.925 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.46 75.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 71.4 112.477 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.4 78.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 53.51 112.517 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -127.99 88.04 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 73.22 110.831 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -24.33 37.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.871 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.11 12.03 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.11 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.66 -46.97 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.43 111.172 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.85 -39.2 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.41 111.094 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -46.79 24.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -54.7 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.5 -30.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 63.11 111.136 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -53.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.853 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.39 -33.95 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.52 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -66.59 -53.77 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 74.43 110.82 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.01 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 52.41 111.104 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -55.57 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 72.45 110.881 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.35 -35.35 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.898 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.38 -50.87 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.75 -42.53 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -29.73 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.06 -49.39 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.41 111.119 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.27 -40.74 86.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.896 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -66.28 -44.35 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.898 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.48 -38.78 71.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.11 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -84.82 -1.57 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -65.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.871 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.86 15.64 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 54.21 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 131.45 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.913 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -51.96 -34.33 41.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -50.69 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.922 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -59.38 -29.83 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -73.89 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 72.24 110.932 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.843 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -64.51 -29.47 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -70.33 -56.89 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.874 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 71.32 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.18 -37.68 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -37.68 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.876 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m -77.71 -36.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 74.15 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.03 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.22 111.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.1 p -76.66 -42.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.114 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.1 mmt -67.67 -53.35 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.45 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -60.09 -36.5 77.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.13 -56.14 21.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -23.76 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.103 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.05 -48.05 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.919 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -70.93 -23.34 62.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -46.02 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 62.25 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -65.59 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -25.84 34.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.891 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.33 -26.04 63.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.05 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.1 -35.15 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 75.03 111.109 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.22 -30.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.143 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -29.19 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 75.51 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.099 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.868 0.366 . . . . 55.14 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -22.29 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.3 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.15 111.103 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -29.51 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -71.93 -39.78 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.77 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.882 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -33.44 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 73.14 110.877 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.63 -47.32 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.118 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.33 -45.56 76.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.86 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.04 -45.18 89.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 71.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.54 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 74.25 110.891 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -51.65 60.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 74.01 110.885 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.41 -36.89 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.36 -60.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.159 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.9 -46.68 43.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -65.22 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.872 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -50.12 75.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.881 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.68 -43.41 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.5 t-20 -61.3 -25.42 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 74.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -84.22 -30.49 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 75.15 111.098 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.56 -39.71 88.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.925 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.89 26.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -101.65 1.38 52.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 60.3 112.437 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.12 -43.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 63.31 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.3 -60.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 73.44 110.871 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -40.07 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.87 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.61 10.12 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 61.45 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.8 p -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.098 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.77 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 63.33 111.056 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -51.36 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.856 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.8 mttm -62.55 -45.51 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -31.47 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.31 111.157 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -50.36 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 70.23 110.882 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.7 pp -76.19 -33.63 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 71.21 111.118 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.43 -55.17 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.875 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.96 95.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.099 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.9 -55.37 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.835 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.39 -48.97 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.858 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -54.42 -51.28 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.876 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -53.53 -45.86 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.902 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.57 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.33 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 60.23 111.094 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.76 -31.73 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.1 110.938 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -75.68 -49.06 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.946 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.65 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 70.34 111.143 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -89.04 -9.99 49.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 121.58 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.832 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -87.44 -18.77 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.841 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.4 170.25 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.869 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -51.4 -33.94 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -33.28 57.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -31.6 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 64.23 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -70.45 -53.15 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.923 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -64.23 -42.04 96.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.13 -25.49 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -73.16 -51.53 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -41.92 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.874 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.89 -31.53 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -79.83 -31.9 40.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 73.02 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -36.91 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.891 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.5 m -75.91 -39.22 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.139 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.24 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.2 111.093 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.56 -37.92 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.136 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -70.96 -54.78 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.899 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -33.92 70.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -68.22 -43.07 78.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -27.68 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.55 111.193 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.73 25.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.24 -23.44 62.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 62.3 110.898 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.5 -46.59 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.05 111.153 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -63.96 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.873 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.71 -25.95 44.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.49 -35.21 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.923 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.35 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 73.1 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.89 -47.06 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.085 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -67.57 -29.77 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.072 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.777 0.322 . . . . 72.23 111.101 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -146.81 -44.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.922 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -113.36 -30.06 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 64.33 110.829 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -27.82 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 64.23 110.884 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -84.2 -23.54 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.878 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.5 t -94.3 11.28 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.01 111.095 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -61.04 155.06 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.917 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 -175.47 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.888 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -22.17 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -54.12 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.21 111.104 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -54.81 -29.81 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.91 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -69.88 -51.0 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.839 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.3 77.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.14 111.1 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -75.22 -47.41 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -54.74 -51.78 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.859 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.69 -46.76 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 75.44 111.135 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.42 -47.43 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 74.22 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.23 -45.02 84.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 61.15 112.485 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -62.57 -40.9 98.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 75.03 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -49.37 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.918 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -41.97 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.896 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.9 t -74.13 -59.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.23 111.113 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HB3' HD11 ' A' ' 45' ' ' ILE . 5.8 mp -50.23 -47.04 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.913 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.27 -30.06 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.11 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -50.24 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 71.31 110.847 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -76.04 -34.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.05 111.128 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -70.5 -26.43 63.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -86.06 -30.24 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 75.31 111.19 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.39 -39.95 89.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.917 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -172.83 26.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 54.13 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.34 1.72 57.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 72.41 112.509 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.72 -46.44 1.02 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 62.45 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 73.97 -63.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 50.43 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -68.1 -49.44 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 63.43 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.6 -0.52 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.884 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 45' ' ' ILE . 28.7 m -51.39 -56.55 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.099 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.44 -37.39 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.12 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.96 -43.83 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 53.13 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -62.89 -54.49 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 73.01 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.406 HD11 ' HB3' ' A' ' 28' ' ' LEU . 5.1 mm -62.31 -30.73 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 72.43 111.165 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -62.66 -53.84 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 75.44 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -76.47 -35.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.111 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -64.47 -53.69 44.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.83 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.84 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.068 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -49.18 74.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -65.86 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.905 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.26 -54.76 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.12 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -57.11 -33.33 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.872 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.16 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.32 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.13 -49.1 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.1 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.17 -33.1 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.939 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -75.8 -51.0 13.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 72.21 110.915 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.38 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -8.04 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 122.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 74.53 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -18.98 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.849 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.5 170.22 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.41 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.99 28.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.923 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.03 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.917 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -32.22 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.898 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -69.33 -52.61 25.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -68.24 -27.75 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -70.37 -54.8 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -43.15 79.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.905 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -59.51 -29.89 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.861 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -78.0 -41.86 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.889 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -37.28 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.901 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.0 m -77.31 -36.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 75.31 111.131 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.77 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 75.05 111.11 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.7 p -76.16 -42.46 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.159 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.56 -52.66 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.872 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.9 ttt85 -59.24 -39.74 83.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.84 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -61.21 -46.41 90.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 63.52 110.903 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.17 -24.52 67.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 71.22 111.127 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -74.89 -46.39 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.938 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -78.96 -23.24 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 74.34 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -81.3 -41.8 21.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 64.12 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.59 -38.99 64.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.12 110.838 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -76.66 -25.67 53.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.884 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -53.0 -47.86 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.883 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.46 79.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.137 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.94 -45.54 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -77.08 -31.23 55.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 65.43 111.119 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.096 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.78 0.324 . . . . 75.53 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -149.18 -45.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.29 -27.41 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 63.51 110.851 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -27.99 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.841 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.84 -21.05 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 75.35 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.1 t -99.98 21.54 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.18 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.41 140.8 58.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.23 173.53 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.834 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -72.46 -22.27 61.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 63.23 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.25 59.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 64.25 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.15 -29.6 58.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.852 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -69.86 -51.27 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.853 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.3 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.25 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -75.46 -46.93 29.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.72 -47.7 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 55.51 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.39 -34.19 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 71.11 111.131 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -64.25 -45.08 89.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.94 -32.04 61.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.521 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.1 mt -77.3 -39.87 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 72.54 110.883 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.28 -39.5 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.915 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -71.01 -39.5 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.933 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 t -75.85 -57.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.23 111.145 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.9 mt -50.5 -43.7 55.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.87 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -69.49 -30.74 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.86 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -49.14 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 tt -76.29 -34.79 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.33 111.135 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.83 -26.02 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.909 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.8 m -85.69 -30.49 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 65.35 111.08 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.21 -39.8 87.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 74.41 110.9 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -173.74 26.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.05 110.93 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.06 -3.72 61.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 74.45 112.489 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.51 -42.62 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 63.14 112.487 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.65 -61.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 72.03 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.4 p -67.97 -49.47 61.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 75.14 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -2.03 42.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 m -51.55 -59.47 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 62.32 111.136 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.97 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.067 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -45.39 36.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 64.52 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.87 -54.73 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -60.61 -30.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.31 111.158 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.2 -52.98 56.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.892 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.41 -30.74 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 73.12 111.15 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -70.0 -54.17 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.861 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.21 76.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -55.52 33.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 74.34 110.91 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.39 -46.24 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.859 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.71 -53.87 46.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.882 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -45.6 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.897 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.98 70.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 51.4 111.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.71 -49.37 18.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 71.23 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.26 -31.95 70.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.883 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -75.64 -48.82 20.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 74.55 110.887 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.77 75.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -92.62 -2.34 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.89 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.73 120.45 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 71.11 110.845 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 m -87.73 -15.48 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.28 -174.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 71.54 110.828 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -63.62 -33.66 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 61.51 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -41.65 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.927 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.85 -31.93 73.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.6 -51.66 22.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -67.77 -40.59 84.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.894 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.64 -30.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 65.22 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -73.7 -50.56 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.857 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.9 ptt? -69.04 -34.76 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.2 110.866 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.17 -27.53 64.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -78.21 -49.35 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 75.04 110.891 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.05 -37.74 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.6 m -76.86 -34.87 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 75.11 111.148 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.25 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 73.45 111.095 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.68 -41.35 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.151 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.6 mmt -67.76 -52.22 39.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.904 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -62.31 -35.38 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 74.14 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -62.52 -57.39 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.4 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -57.6 -24.14 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.121 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.56 -49.44 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 72.22 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.91 -23.4 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -79.95 -46.49 16.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.54 111.18 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -25.96 59.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 71.01 110.888 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -42.55 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.873 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.28 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.121 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.47 -52.02 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.22 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.4 t -68.04 -26.88 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 64.23 111.107 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.4 111.086 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.752 0.31 . . . . 72.4 111.099 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 179.09 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.882 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -51.1 -41.08 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.848 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -27.1 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 72.45 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.94 -24.7 6.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 65.13 110.906 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.7 t -101.42 -18.34 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.2 111.132 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.34 79.8 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 61.12 110.96 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -170.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.894 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.53 -22.33 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.32 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 73.43 111.102 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.29 -29.53 58.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -68.88 -50.68 47.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.45 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 45.43 111.104 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.59 -46.67 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.852 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -54.54 -51.74 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.1 -48.68 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.87 -48.26 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.47 96.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.466 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -66.15 -31.66 72.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 71.34 110.899 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.71 -52.33 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.08 -38.98 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.0 t -74.45 -59.38 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 74.25 111.099 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.35 -46.13 62.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 75.43 110.921 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.81 -30.07 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.906 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -51.52 66.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.51 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 tt -75.55 -34.72 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 75.42 111.16 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -69.63 -27.12 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.873 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.5 m -86.69 -30.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.115 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.47 -39.68 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 72.22 110.89 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -172.78 26.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.26 5.64 49.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 71.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.39 -45.44 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.676 -0.773 . . . . 73.44 112.507 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.16 -61.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 74.22 110.858 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m -68.07 -49.32 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 53.12 110.849 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.52 -4.71 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 70.22 110.85 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.3 m -51.26 -39.03 55.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 65.12 111.106 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 62.12 111.125 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.65 -41.06 61.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.864 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -48.92 63.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.04 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.198 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.66 -51.87 44.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 75.14 110.869 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.51 -32.94 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.2 111.139 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -70.87 -54.11 12.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.86 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -53.27 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.861 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.65 -49.86 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 73.52 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -58.99 -51.93 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -45.18 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 62.45 110.885 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 72.11 111.092 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.43 -48.64 21.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 74.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.52 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.14 110.921 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.71 -49.79 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 72.33 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.69 78.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -92.28 -2.17 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 75.25 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 123.05 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 72.45 110.829 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -99.86 -19.43 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.03 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.36 174.32 1.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 71.54 110.874 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -28.95 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -52.45 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 74.31 110.902 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -34.22 74.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.54 -55.72 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.935 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -49.25 78.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.19 -30.39 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -57.49 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.815 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -67.98 -43.21 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.885 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -59.2 -28.63 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 72.21 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -78.63 -49.81 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -38.58 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.7 m -76.82 -36.09 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.16 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.67 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 63.43 111.085 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.7 p -76.95 -41.71 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.129 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.8 mmt -67.97 -53.11 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.904 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.92 -39.35 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 75.01 110.845 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.24 -46.53 89.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.859 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.64 -24.59 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.146 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -74.13 -46.68 41.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -79.75 -23.25 42.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 m -80.46 -42.36 22.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 74.24 111.13 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -74.66 -36.2 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 74.4 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -25.82 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 71.33 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.45 -45.42 80.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 75.44 110.891 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.54 69.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.12 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.04 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 70.34 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -56.71 -31.99 65.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.43 111.123 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 63.13 111.083 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.826 0.346 . . . . 72.43 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -179.82 -49.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.898 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.12 -30.86 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.881 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.6 -26.56 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.908 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -24.03 35.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 71.43 110.866 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.5 t -82.4 -24.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.2 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 pp -114.08 110.66 20.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 71.24 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -170.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -58.42 -22.44 54.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.93 87.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 64.34 111.046 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -54.91 -28.58 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.862 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -65.13 -50.75 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 75.34 110.89 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.6 94.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.068 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.75 -46.43 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -53.93 -45.23 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.908 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.23 -36.66 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 65.31 111.142 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.38 -46.31 89.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.94 -29.36 69.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 61.2 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.1 mt -77.21 -40.1 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 75.15 110.927 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.2 -39.62 86.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.867 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -71.01 -39.29 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.0 t -75.91 -56.9 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 60.11 111.141 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -50.76 -44.03 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 73.54 110.88 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -69.74 -29.62 67.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.41 110.87 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.883 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.7 tp -77.11 -34.21 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.13 111.111 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -70.47 -26.55 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.885 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.9 m -86.06 -30.9 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 63.52 111.118 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 75.14 110.906 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.5 26.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.25 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.07 4.82 52.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.12 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.57 -47.41 1.0 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 75.5 112.502 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 73.9 -62.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 74.22 110.847 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p -68.12 -49.17 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.86 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -82.73 2.13 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.917 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.2 m -57.91 -59.24 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.176 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.49 -37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.51 111.119 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -46.79 24.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -60.95 -54.31 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.91 -30.59 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.126 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -62.34 -53.29 57.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 72.34 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.74 -35.15 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 74.1 111.131 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -65.04 -54.61 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.853 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.37 63.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -54.0 -50.93 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.83 -44.34 93.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.07 -54.54 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 70.54 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -54.59 -45.79 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.12 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -48.8 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.25 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.876 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -75.34 -49.2 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.898 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.05 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 63.22 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -93.49 -3.7 52.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.18 121.75 9.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -92.94 -20.04 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.851 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.62 168.28 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 72.35 110.853 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -29.47 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 75.31 110.895 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -36.72 55.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.925 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -31.36 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -73.2 -54.31 8.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.905 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -61.89 -37.12 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.897 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.73 -25.98 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -73.79 -49.8 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 61.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -72.37 -41.94 65.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 74.55 110.927 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.87 -28.01 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.83 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -78.56 -49.12 13.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -37.99 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.42 110.917 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.2 -35.7 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 73.41 111.096 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.99 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.9 p -77.53 -42.7 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 72.24 111.126 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.2 mmt -66.87 -51.88 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.885 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.5 -34.99 77.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 73.24 110.879 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.45 -56.58 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.873 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -58.58 -24.09 60.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 71.35 111.174 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -71.23 -48.96 48.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.54 110.919 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -79.9 -23.0 42.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 m -79.57 -43.08 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.184 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.56 -38.15 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 -25.9 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.925 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.73 -44.46 81.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.11 79.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.4 111.12 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.35 -54.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 72.32 111.092 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -62.36 -30.86 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.124 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.24 111.111 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.754 0.311 . . . . 65.52 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -150.69 -44.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 65.42 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -114.15 -30.91 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.878 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -30.3 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.886 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.65 -23.8 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.05 110.884 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.38 11.7 22.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.42 111.148 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.4 141.38 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 64.41 110.958 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 170.65 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 62.02 110.873 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -72.57 -22.25 61.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 75.12 110.877 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.53 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.095 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.96 -29.88 57.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 73.1 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -67.5 -50.86 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 74.52 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.17 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.085 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -48.78 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -49.5 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.3 -49.91 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.2 -48.29 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.39 94.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 41.9 mt -63.56 -38.84 92.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 73.52 110.927 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.42 -52.37 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.42 110.934 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -40.48 73.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.947 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.5 t -73.03 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.33 111.107 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -50.74 -48.21 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.42 110.959 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.0 ptt? -62.87 -29.92 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.887 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -53.48 53.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.12 -34.2 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.22 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.0 OUTLIER -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.857 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.0 m -80.78 -29.39 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.139 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.01 -47.54 84.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 75.41 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -162.94 19.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 61.22 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -83.0 -11.45 81.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 62.42 112.497 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.68 -42.2 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 72.42 112.484 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 75.33 110.862 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -68.09 -47.18 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.97 3.61 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.86 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 m -50.89 -57.12 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 75.33 111.125 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.09 -37.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.55 111.061 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.36 -43.68 32.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -62.97 -54.13 43.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -62.89 -30.42 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 71.35 111.137 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -63.23 -52.21 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.43 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -78.03 -35.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.151 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -65.31 -54.44 29.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.856 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.93 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.52 -49.34 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.05 -44.29 89.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.01 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.04 -54.71 41.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -55.49 -45.06 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 70.23 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.34 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.05 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.57 -48.98 20.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.117 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -69.54 -32.18 70.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 73.4 110.87 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -75.62 -47.34 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.9 80.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 63.24 111.102 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -85.6 -11.16 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 120.84 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.41 110.888 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -92.55 -14.04 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.842 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 -169.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -69.19 -34.58 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -37.08 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.913 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -31.5 69.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 73.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -73.99 -53.17 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.959 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.22 98.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 65.15 110.834 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.56 -26.62 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -70.82 -53.87 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -43.17 72.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.84 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.2 -28.47 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 74.44 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.78 -49.06 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.826 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -59.47 -38.54 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.943 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -76.84 -36.5 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 70.42 111.124 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 64.15 111.107 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -75.3 -43.06 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.14 111.104 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.7 mmt -66.61 -52.39 45.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.33 110.906 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.7 ttt-85 -58.51 -41.43 85.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 75.03 110.843 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -47.75 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -24.12 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 72.14 111.168 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -46.95 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.917 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.47 -23.76 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 74.52 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -44.25 12.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.154 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -65.71 -32.79 74.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.867 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.5 -26.35 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 73.25 110.902 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.9 -33.93 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 62.35 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -28.48 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 73.13 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.36 -54.28 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.13 111.156 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.5 t -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.22 111.137 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.087 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.619 ' N ' ' HZ3' ' A' ' 9' ' ' LYS . 4.1 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 71.31 111.108 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -144.82 -45.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.883 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -75.85 -55.09 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 53.01 110.884 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.619 ' HZ3' ' N ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -53.23 -26.96 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.33 110.908 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -22.88 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.895 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -104.08 -16.61 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.198 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -72.66 103.53 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.914 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.32 -169.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.852 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -55.82 -22.62 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.849 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -54.1 48.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -29.43 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 73.43 110.897 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -71.2 -40.34 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.64 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.099 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -36.68 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 75.41 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.67 -45.92 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 72.21 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.02 -42.03 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.114 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.54 -49.14 77.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 71.33 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.93 89.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 65.43 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.7 mt -66.17 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 70.3 110.907 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 tp -66.1 -38.01 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.936 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.56 -42.45 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.1 t -74.31 -56.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.12 111.097 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 81.7 mt -49.92 -46.8 52.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.936 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.57 -29.07 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 64.43 110.856 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -50.34 73.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.854 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.8 tp -76.33 -34.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.101 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -70.59 -26.58 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 70.54 110.895 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 m -86.0 -30.65 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 70.43 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.96 -39.23 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 64.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -174.32 26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.85 -1.91 59.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.88 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 71.23 112.487 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.53 -61.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 70.54 110.848 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -68.12 -49.52 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 71.43 110.842 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.9 -2.18 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 73.15 110.857 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.6 m -51.24 -59.19 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 75.52 111.143 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.47 -38.14 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.05 111.075 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -44.04 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.821 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -63.87 -54.92 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.882 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 mm -60.7 -30.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 75.13 111.119 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.81 -52.37 57.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.853 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.85 -29.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 74.53 111.144 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -71.41 -54.17 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.832 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.16 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 55.52 111.093 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -64.82 -49.88 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 70.4 110.871 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -64.35 -48.24 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.23 110.864 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.84 -54.73 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.01 -45.92 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.13 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.43 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.71 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.7 -31.9 70.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.03 110.907 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -75.37 -48.56 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.73 -36.15 80.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 73.54 111.093 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -89.29 -7.98 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.833 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 122.06 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.851 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -98.6 -18.29 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 61.32 110.901 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.52 168.97 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.84 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -51.35 -32.99 27.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 75.1 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -34.25 57.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 75.23 110.922 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -33.44 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.874 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -72.74 -53.54 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.917 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.33 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 73.55 110.898 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -70.19 -25.74 63.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 m -73.51 -50.48 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.32 110.819 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -42.13 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 55.52 110.879 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 74.43 110.902 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -78.52 -38.26 41.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 72.03 110.912 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -38.09 74.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.87 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.65 -35.87 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 75.41 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.1 91.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.5 p -77.15 -42.46 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.156 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.3 mmt -67.55 -52.46 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.851 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.57 -34.84 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.914 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.34 -57.4 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.847 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -56.88 -23.76 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.25 111.134 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -72.97 -48.72 34.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.899 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -77.72 -23.32 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 54.14 110.884 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.64 -43.58 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 73.31 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -71.34 -40.16 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.846 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -75.59 -25.69 57.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.915 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.75 -48.5 63.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.918 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.89 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.3 111.097 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.62 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.3 t -62.14 -29.99 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 74.53 111.131 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.52 111.12 179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 75.1 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.63 -42.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -126.54 -35.0 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 74.3 110.862 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -27.89 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -27.49 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 64.14 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.8 t -93.81 19.92 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.138 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.0 mt -79.08 141.11 37.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 65.14 110.914 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.99 -170.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 61.55 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -76.3 -21.92 55.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 75.31 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -29.81 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.87 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -72.16 -40.65 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.33 111.152 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.22 -38.42 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 75.41 110.941 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -62.82 -48.84 77.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 72.1 110.837 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.01 -44.38 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 70.01 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -56.32 -47.26 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.859 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.26 93.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.523 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -66.49 -31.72 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 74.43 110.925 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 tp -67.26 -55.57 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.875 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.92 -39.37 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 72.35 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 t -73.19 -60.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.135 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.0 mt -51.62 -47.97 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.05 110.943 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -63.1 -29.7 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 75.02 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -53.37 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 74.04 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.4 tt -75.53 -34.57 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.128 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 0.6 OUTLIER -64.05 -24.4 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.864 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.4 m -80.62 -29.86 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.15 111.141 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.5 mt -61.01 -47.27 87.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -164.65 20.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.45 110.898 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -92.92 -1.97 67.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 74.01 112.479 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.59 -48.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 71.42 112.482 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 74.5 -61.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 54.23 110.823 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.0 p -78.59 -42.98 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.03 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.65 8.2 15.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.891 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 p -49.41 -64.47 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 74.54 111.11 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.72 -34.59 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.115 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -74.35 -51.83 13.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.2 mttp -62.71 -54.0 45.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 73.05 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.6 mm -57.97 -30.25 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.01 111.129 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -66.29 -53.33 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.8 pp -76.09 -28.45 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.116 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -73.36 -54.88 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.829 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.96 96.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.73 -52.2 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.43 -49.75 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 70.53 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -54.12 -52.35 61.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.843 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.25 -45.51 68.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.902 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.07 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.02 111.131 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.54 -49.94 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 75.34 111.083 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 pp -68.38 -38.78 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.886 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -68.59 -40.06 80.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.04 61.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.51 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -2.1 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -67.77 -72.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.13 15.72 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 74.4 110.845 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.62 141.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 64.35 110.846 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.37 74.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -34.01 58.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.903 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.51 -31.71 65.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.908 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -51.86 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.935 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -60.55 -38.62 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.879 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.89 -29.43 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -69.86 -56.42 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 72.23 110.873 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -37.28 86.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.829 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 72.3 110.868 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.47 -37.04 44.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 74.33 110.878 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -71.36 -38.44 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.6 m -77.25 -36.32 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.115 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.0 p -76.43 -41.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.11 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.4 mmt -68.55 -53.21 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -41.38 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 62.24 110.877 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.52 -52.51 65.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 p -57.95 -24.98 60.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 73.42 111.114 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -75.15 -38.65 60.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.956 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.6 -22.78 60.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 74.24 110.867 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.43 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -65.32 -50.86 64.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 72.34 110.884 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -52.11 -31.27 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.98 -34.69 59.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.62 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.085 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.3 t -71.24 -30.2 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.115 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -26.13 64.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.02 111.113 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 64.21 111.121 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 73.24 111.13 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -150.53 -44.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.933 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -114.15 -30.73 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.865 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.06 44.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.14 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 -23.58 57.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 72.42 110.876 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -92.16 11.89 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.13 111.185 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.5 mt -59.52 139.56 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.99 177.29 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.83 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -76.49 -22.28 54.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.917 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.113 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.14 -29.67 58.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -68.86 -50.87 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 71.31 111.115 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -72.13 -46.56 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.3 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -54.6 -51.98 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.899 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.81 -41.45 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.163 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.67 -45.51 91.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.68 63.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.4 mt -65.96 -41.46 91.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 71.51 110.883 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -50.83 69.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.919 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -56.41 -40.05 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.951 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.3 t -74.72 -59.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.114 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 45' ' ' ILE . 9.8 mp -50.46 -44.81 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 75.25 110.934 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -67.23 -29.81 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -49.67 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 73.32 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.7 tt -75.1 -34.79 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.14 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -25.92 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.899 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 m -85.36 -30.61 23.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.14 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.68 -39.72 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 74.4 110.953 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -174.21 26.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.51 -3.06 61.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 74.24 112.472 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.52 -44.41 1.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.727 . . . . 63.12 112.48 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 74.35 -61.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 75.14 110.889 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -67.97 -49.75 59.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 73.34 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.79 -1.04 45.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.3 110.865 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' O ' HG12 ' A' ' 45' ' ' ILE . 53.7 m -54.43 -58.91 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 63.31 111.137 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.06 -38.04 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 43.44 111.066 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -44.98 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.859 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -54.52 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.12 110.831 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 41' ' ' THR . 4.8 mm -62.1 -30.19 48.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 64.12 111.134 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.01 -52.88 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -78.03 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 73.52 111.111 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -66.75 -53.68 30.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 74.42 110.821 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.46 -51.28 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.056 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -55.2 -51.85 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.41 110.898 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.62 -28.65 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.14 -54.78 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.12 -33.87 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 71.02 110.938 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.05 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 74.21 111.115 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.33 -49.19 15.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.03 -33.31 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 74.14 110.951 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -75.52 -50.33 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.86 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -32.26 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.32 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -95.64 -2.89 47.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.38 121.5 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.861 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.96 -20.11 27.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.848 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 170.08 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 75.3 110.862 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.46 -32.21 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -34.35 55.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.24 110.849 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.81 -31.37 61.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 71.04 110.883 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -70.19 -53.79 15.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.5 ptm -64.28 -42.61 96.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.922 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.54 -26.75 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 72.35 110.829 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -51.66 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 63.1 110.852 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -71.28 -42.36 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.882 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.37 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -78.74 -37.03 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -71.77 -37.85 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.09 -37.09 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.093 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.37 88.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.32 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.18 -42.66 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 74.44 111.115 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 22.9 mmm -66.34 -52.89 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.93 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.864 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.23 -56.67 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -23.98 60.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -71.34 -50.2 34.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.925 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.57 -23.39 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -49.01 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -41.01 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.44 -25.86 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.35 110.867 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.54 -39.9 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.888 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.01 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.53 111.136 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.65 -49.34 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 71.55 111.108 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.4 t -69.35 -25.34 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.095 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.068 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 75.43 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -179.76 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 73.03 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -71.68 -31.95 67.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.908 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -51.4 -26.43 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 70.43 110.889 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.73 -24.98 24.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 73.31 110.867 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.8 t -96.07 -16.47 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.23 111.146 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.04 81.82 7.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.876 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -170.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 70.53 110.863 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -61.49 -22.91 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 71.44 111.093 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.67 -29.38 59.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.882 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -67.04 -50.63 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.51 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -73.79 -49.52 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.26 -51.3 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.25 110.916 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.79 -34.12 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.13 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -64.11 -45.29 89.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.84 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 71.51 112.495 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.1 mt -77.74 -35.44 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 75.2 110.86 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.91 -43.33 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.98 -36.07 72.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.94 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.4 t -76.37 -59.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.52 111.144 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.43 -43.23 54.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.895 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -69.02 -31.3 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.919 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -48.39 81.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.835 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.8 tt -76.15 -34.85 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.168 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 0.3 OUTLIER -69.96 -25.66 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 60.34 110.884 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -85.43 -30.31 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 73.44 111.149 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.67 -40.54 92.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.917 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.22 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.897 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.78 -7.57 66.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 65.45 112.552 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.13 -38.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 65.12 112.537 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.76 -60.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 71.54 110.854 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 t -66.94 -46.73 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 65.45 110.879 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -83.08 3.84 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.923 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.2 m -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 74.31 111.137 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.27 -36.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.14 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -46.59 32.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -54.23 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 74.02 110.864 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.5 mm -59.58 -30.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.15 111.156 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -53.41 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.847 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.99 -29.86 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.131 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -71.75 -55.02 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.832 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.84 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 73.23 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -52.78 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 74.25 110.902 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.01 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 72.3 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.8 -51.29 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.834 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.55 -45.1 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 75.41 110.905 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.02 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 71.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.56 -49.08 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.099 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.37 -33.91 73.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 75.34 110.884 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -73.99 -41.2 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.56 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.21 111.083 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -91.42 -1.87 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.908 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -72.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 71.4 110.846 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.36 12.8 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 51.55 110.852 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -177.78 159.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 70.5 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -32.64 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.919 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.48 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.78 -31.19 59.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 72.01 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.3 -53.83 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.928 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -25.71 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 72.33 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.54 -33.02 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -75.22 -42.11 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.34 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -38.43 66.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.13 110.934 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.83 -27.39 64.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.89 -49.98 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 74.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -38.04 79.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 73.11 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.4 m -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.131 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.27 82.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 63.43 111.098 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.5 p -77.42 -41.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.51 111.15 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.7 mmt -67.94 -52.18 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 75.15 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -62.24 -35.35 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.79 -57.4 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.4 t -57.42 -23.96 52.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 73.31 111.162 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.03 -49.42 36.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 74.21 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.78 -23.2 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 -46.13 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 63.51 111.15 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -70.01 -38.29 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.81 -25.87 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.92 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.8 -41.45 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.44 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.32 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.136 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.01 -61.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 73.3 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.7 t -55.38 -31.32 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.119 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 72.35 111.101 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.759 0.314 . . . . 74.51 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -125.82 -6.63 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 74.45 110.888 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -96.12 -24.38 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.41 110.907 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -26.37 41.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.53 110.844 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.09 -21.89 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.869 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.9 t -107.24 26.32 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 70.22 111.154 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.83 155.36 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 72.52 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 168.45 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.844 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.39 -22.32 63.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.41 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -53.73 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 64.4 111.091 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -55.16 -29.53 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 70.44 110.859 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -70.26 -50.89 35.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 75.54 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.34 77.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.33 111.102 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -47.59 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -54.84 -52.64 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 71.3 110.892 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.39 -43.62 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -57.83 -46.59 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 72.12 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.57 94.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 72.05 112.529 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.69 -35.49 75.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 73.32 110.881 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 tp -66.27 -38.64 88.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.918 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -70.52 -41.12 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.1 t -75.39 -57.0 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 61.31 111.088 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -49.62 -45.1 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.55 110.968 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -69.46 -29.48 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.825 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.06 75.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.6 tt -75.45 -34.63 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.165 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -25.84 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -85.54 -30.18 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 62.41 111.134 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.68 -40.77 93.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.43 110.909 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -171.72 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.916 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.8 -7.32 66.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 73.53 112.451 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.29 -38.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 72.44 112.51 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.73 -60.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 72.43 110.875 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -47.16 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.23 110.9 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -83.09 3.84 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.9 m -59.69 -61.47 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 75.43 111.148 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.34 -36.96 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.01 111.114 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -75.67 -46.03 33.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.875 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -54.44 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.7 mm -59.88 -30.6 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 73.11 111.143 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -64.93 -54.11 35.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 75.12 110.864 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.31 -30.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.086 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -70.39 -53.6 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.29 97.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.052 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -53.42 39.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.88 -48.97 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 61.52 110.841 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -53.35 -52.4 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.48 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.873 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.49 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 -49.0 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.094 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.59 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.943 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -75.63 -47.85 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.53 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -38.08 83.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.119 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -86.21 -10.05 55.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 121.97 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.852 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -93.71 -18.28 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.858 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.36 169.54 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.824 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.52 -33.06 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 75.23 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.51 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.952 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -36.45 63.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.1 -52.41 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.928 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -39.5 94.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.834 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.81 -25.89 63.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.833 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 -51.33 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 74.1 110.839 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.3 -41.54 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 72.33 110.892 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.41 -28.14 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.887 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.903 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -60.53 -38.29 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.21 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.58 -35.94 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 75.41 111.104 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.89 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 75.52 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.6 p -77.3 -41.54 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.11 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 11.9 mmt -67.41 -50.85 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.859 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -62.85 -35.91 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 73.42 110.86 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.42 -57.05 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -57.68 -24.36 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.35 111.118 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.63 -47.99 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -79.19 -23.09 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 61.21 110.911 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -79.42 -45.16 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.093 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -72.11 -40.64 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.4 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -25.73 63.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.4 110.915 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.94 96.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.83 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.7 72.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.102 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.57 -58.44 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.106 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 t -58.79 -30.28 67.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.115 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 75.14 111.086 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.803 0.335 . . . . 74.11 111.176 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -145.87 -45.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.887 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -120.78 -28.48 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 62.21 110.849 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -27.7 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 61.54 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 -22.6 32.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.875 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.7 t -102.45 23.78 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 74.23 111.098 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.25 147.01 54.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 71.3 110.92 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p -100.26 172.96 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 54.14 110.814 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -74.8 -22.17 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.51 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.55 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.32 111.103 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.0 -29.92 58.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 73.03 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -68.64 -51.14 45.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 74.54 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.92 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.3 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.857 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.44 -51.49 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.874 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.9 t -68.9 -44.08 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.88 -42.06 79.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 73.42 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.21 50.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.47 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.8 mt -65.62 -39.74 91.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.86 0.362 . . . . 74.25 110.932 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.59 -54.41 16.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 62.24 110.879 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -56.66 -37.6 71.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 74.11 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 t -76.3 -59.48 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.131 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 mt -52.19 -38.37 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.942 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -76.2 -25.45 55.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.5 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -49.66 68.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.905 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.2 tp -75.32 -34.12 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.32 111.122 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 m -86.79 -31.57 20.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 64.55 111.174 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.23 -40.29 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 72.25 110.913 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -175.92 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.23 -22.0 74.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 60.15 112.53 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.96 21.58 79.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 74.14 112.528 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -127.52 87.63 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 74.32 110.817 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 p -55.99 -22.78 28.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 71.53 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.09 12.12 6.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.839 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.51 -46.93 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.173 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.09 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 65.34 111.108 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.02 -46.63 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -54.43 45.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.4 mm -62.23 -30.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.52 111.158 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -61.86 -53.18 59.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 74.13 110.877 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.9 -34.87 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.52 111.147 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -65.52 -53.34 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.871 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.73 85.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 71.15 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.51 -55.44 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 74.42 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.6 -36.27 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.29 -50.1 61.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -53.52 -45.96 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.926 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.46 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 72.53 111.099 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.97 -48.98 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.41 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.47 -31.97 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.24 -46.74 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.27 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.33 111.094 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -88.33 -9.86 51.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.92 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.71 121.09 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.835 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -22.72 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 53.54 110.87 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 172.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 73.11 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -51.83 -30.4 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.42 110.881 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -36.53 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.26 -30.99 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.89 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -71.2 -55.18 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 73.4 110.906 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -62.07 -42.2 98.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.32 110.866 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.99 -28.58 69.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.846 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -71.11 -55.46 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.893 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -43.1 79.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 73.53 110.918 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -60.29 -28.51 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -77.91 -49.99 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.841 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -38.84 80.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.0 m -77.42 -34.51 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.117 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 75.44 111.074 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.5 p -76.63 -43.62 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 75.11 111.131 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 21.0 mmt -65.37 -52.61 52.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.869 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.61 -33.71 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.67 -57.21 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -58.08 -23.83 56.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.52 111.092 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -72.03 -50.05 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.23 110.931 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -72.29 -23.91 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 72.04 110.916 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -46.7 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 75.22 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mtt85 -65.29 -33.54 76.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.838 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -80.21 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.71 -26.08 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 74.21 110.833 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -33.35 19.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.2 111.109 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.7 t -71.73 -30.28 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.05 111.128 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -30.05 64.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.41 111.193 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.107 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 74.25 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -151.06 -44.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.24 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -114.28 -30.86 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.41 110.889 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -27.92 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -78.05 -24.8 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 65.53 110.848 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 t -87.67 7.5 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 64.14 111.168 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.61 156.78 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.1 m -100.02 164.33 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.874 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.65 -22.77 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 62.13 110.894 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.19 85.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.04 111.084 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.75 -30.07 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.961 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -62.37 -50.66 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 71.2 110.859 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.07 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 71.43 111.062 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -48.05 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.14 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -53.65 -53.2 55.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 60.22 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.72 -37.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 72.23 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -58.4 -47.43 83.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -32.45 81.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.772 -0.727 . . . . 60.22 112.525 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.7 mt -77.24 -33.86 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 74.44 110.954 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.75 -42.95 80.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.43 110.869 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -36.38 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.2 t -75.92 -58.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.11 111.127 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.6 mt -51.26 -45.08 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.921 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -66.67 -31.8 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.883 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 6.6 tt -77.01 -34.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 60.25 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -69.38 -25.95 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.902 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -85.56 -30.46 23.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 70.55 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.28 -39.33 86.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.877 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -174.42 26.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -105.08 7.23 43.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 65.42 112.497 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.79 -50.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.491 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 72.54 110.831 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 t -66.75 -48.4 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.55 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 3.69 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 75.55 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 24.7 m -50.93 -57.4 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.45 111.138 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.38 -37.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.087 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.47 -45.74 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.885 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -61.36 -54.5 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.89 -30.51 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.21 111.155 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.41 -52.88 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.882 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -78.56 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.34 111.121 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -65.72 -53.8 35.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 75.04 110.831 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.2 -52.34 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 72.42 111.071 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.77 -48.69 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.05 -40.38 82.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.53 -55.46 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -46.54 82.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.842 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -30.05 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.2 -49.72 18.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 54.13 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.3 -31.38 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.934 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.54 -51.64 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.838 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.74 74.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.072 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -94.91 -3.59 48.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.32 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.25 123.39 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.22 110.844 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -90.13 -22.86 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 70.25 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.51 172.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 64.11 110.896 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -51.95 -29.95 22.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.874 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -36.99 56.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.892 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -34.77 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 73.41 110.921 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -67.11 -54.64 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.919 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -33.26 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.887 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -61.92 -50.4 72.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.867 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.4 m -62.94 -40.04 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.909 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 57.4 mmm -65.43 -53.52 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.34 110.837 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.51 -25.82 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.898 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.62 -55.3 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 63.33 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.78 -37.59 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 75.33 110.9 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.54 -35.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.141 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.18 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 75.34 111.085 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.4 p -76.58 -40.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 72.03 111.148 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 20.3 mmt -71.5 -53.45 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.86 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -58.33 -41.04 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 65.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.01 -52.71 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.865 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.2 p -55.4 -25.88 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.179 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -75.47 -45.43 38.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 60.11 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -76.26 -23.5 54.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.63 -45.73 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 75.52 111.141 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.96 -32.41 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 73.1 110.825 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -25.81 36.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.888 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -57.74 -39.14 76.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 72.04 110.907 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -38.08 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.096 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.64 -46.38 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.132 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -74.31 -28.89 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.122 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 63.51 111.105 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.799 0.333 . . . . 73.23 111.107 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 179.36 -33.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.897 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -88.4 -26.91 21.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.851 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -25.33 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.21 110.917 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -22.77 24.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.8 t -103.92 26.74 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.104 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.49 152.02 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 73.15 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.9 173.22 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -72.07 -22.34 61.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 70.13 110.902 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.84 52.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.13 111.1 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.1 -29.62 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -70.13 -51.0 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.5 110.824 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.38 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.075 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -46.58 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.927 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -54.59 -48.86 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 71.04 110.913 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.08 -34.54 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 74.33 111.104 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -64.06 -44.31 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.96 -31.92 61.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.5 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.6 mt -77.59 -39.92 43.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.42 110.9 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.0 -40.76 87.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 74.55 110.956 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -70.57 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 75.05 110.929 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 t -74.55 -57.99 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.15 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -49.82 -47.57 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.914 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -65.96 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.86 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -53.81 53.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 53.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -77.04 -34.66 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.137 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.1 t30 -64.12 -23.51 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.901 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 m -80.77 -29.26 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.09 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.935 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -162.49 19.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.836 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -85.49 -8.76 80.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.23 112.493 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.36 -43.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.75 . . . . 73.14 112.523 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 71.51 110.893 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -68.54 -46.66 68.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 70.54 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.78 2.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.852 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -50.47 -57.47 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.29 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.42 111.058 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -45.51 26.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 75.22 110.871 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.73 -54.4 43.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.87 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.34 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.64 -52.69 62.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.854 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.95 -35.36 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.156 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -64.87 -54.19 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.857 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.24 61.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -53.92 -53.73 48.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.892 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.84 -44.23 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 73.14 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.52 -45.55 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.888 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 72.55 111.119 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.32 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 75.43 111.085 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.45 -31.87 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.915 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -75.8 -47.28 26.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.882 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.82 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 65.43 111.126 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -86.99 -8.6 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.22 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 121.12 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.11 110.843 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -93.38 -16.84 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 72.15 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 168.51 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.88 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.44 -34.16 33.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 75.1 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.86 57.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 72.24 110.884 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -73.64 -35.51 65.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 75.1 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -65.79 -51.92 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.932 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -41.32 89.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.27 -30.2 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.84 -52.17 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.815 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.0 ptt? -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.864 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -68.56 -27.5 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.33 -50.04 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.85 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.3 m -77.25 -36.3 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.108 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.79 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.088 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.17 -42.66 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.119 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 33.1 mmt -67.38 -52.63 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.895 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -59.2 -40.81 86.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.867 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -59.86 -49.37 77.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.15 -24.39 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.53 111.069 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.36 -47.35 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 75.25 110.924 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -44.7 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 73.45 111.093 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -67.01 -33.51 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.838 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.21 -25.85 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 70.31 110.87 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.99 -33.12 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 62.24 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.9 -30.8 21.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.13 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.43 -47.84 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.138 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.6 t -69.76 -27.54 65.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.01 111.126 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.054 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.722 0.296 . . . . 75.31 111.091 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -149.4 -45.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.9 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -122.22 -27.36 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 64.12 110.898 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -28.02 46.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.25 110.848 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -85.63 -20.28 29.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.875 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.5 t -107.13 24.65 12.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 75.01 111.162 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.53 142.64 56.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 65.34 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.11 173.26 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.839 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.05 -22.25 58.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.01 110.87 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.12 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 75.34 111.102 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -55.06 -29.6 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.913 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.52 -50.99 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.884 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.95 85.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.092 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -44.43 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.919 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.56 -48.97 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.82 -39.03 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.108 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.884 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.88 81.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 71.33 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 68.3 mt -68.1 -37.0 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 75.22 110.891 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -53.48 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 71.45 110.92 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.96 -37.41 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 63.54 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.5 t -74.67 -60.34 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.54 111.126 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 45' ' ' ILE . 1.4 mm? -52.48 -45.46 66.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.928 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -64.53 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 55.14 110.86 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -48.62 77.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 75.35 110.849 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -76.03 -34.85 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.01 111.112 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -26.11 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.887 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 m -85.74 -29.89 23.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 71.54 111.191 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.95 -40.52 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.93 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -171.81 26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.64 -2.39 61.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.489 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.48 -42.93 1.27 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 63.41 112.471 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 75.25 110.838 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -67.12 -50.5 61.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.866 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.26 -6.04 59.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 71.43 110.849 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.433 ' O ' HG12 ' A' ' 45' ' ' ILE . 20.4 m -48.03 -60.07 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 72.24 111.133 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.47 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 74.43 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -44.16 82.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.82 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -45.81 90.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 41' ' ' THR . 3.3 mm -62.7 -29.97 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 73.24 111.115 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -68.59 -51.15 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.5 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.97 -27.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.168 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -75.76 -55.19 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.888 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.15 77.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.075 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.05 -49.02 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.945 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.05 110.874 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -55.85 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 75.41 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.33 -46.88 69.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.93 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.44 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.51 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 73.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.33 -31.57 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.954 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.37 -49.63 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 -34.23 77.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 72.45 111.091 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -91.1 -6.55 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.944 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.82 121.87 10.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 74.03 110.851 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.1 m -91.47 -19.12 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 75.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.2 170.68 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 64.11 110.838 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -51.62 -32.85 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 74.45 110.952 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -34.56 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.902 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.888 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -69.41 -52.68 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.5 110.92 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptm -64.32 -39.3 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 71.13 110.849 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.13 -31.03 71.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.881 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -71.35 -49.77 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.32 110.889 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 9.1 ptm -70.78 -42.39 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.54 110.874 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -60.92 -31.23 70.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 70.12 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -78.29 -37.64 44.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 51.43 110.879 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -37.82 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.8 m -77.69 -36.42 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 74.35 111.159 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.94 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.127 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.4 p -75.29 -42.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.159 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 28.7 mmt -68.19 -53.54 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 75.13 110.856 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.9 tmt_? -57.83 -39.68 78.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.878 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.76 -48.83 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -24.96 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 72.11 111.129 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.36 -47.39 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.883 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.22 -23.22 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 72.15 110.898 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.34 -44.34 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.12 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -69.5 -36.36 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 75.53 110.851 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -79.57 -25.92 41.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.897 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.63 -41.14 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.46 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.074 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.2 -50.3 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.117 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.9 t -69.68 -29.4 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.174 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.114 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.732 0.301 . . . . 75.51 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -150.12 -45.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 72.04 110.915 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -114.71 -30.06 6.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 42.4 110.889 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -27.38 40.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.877 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -56.58 -27.24 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 74.15 110.846 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -70.6 -15.54 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.141 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.6 mt -54.45 135.23 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.95 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.32 -175.59 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.873 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.81 -22.26 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.61 55.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -54.93 -29.74 57.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -69.15 -50.92 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.32 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.34 83.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 65.42 111.092 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -73.22 -47.13 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.894 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.52 -52.36 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.18 -40.47 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 73.13 111.115 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 -39.16 57.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 61.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.42 -40.68 81.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 74.4 110.915 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.37 -53.36 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 71.12 110.931 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.3 -38.45 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.906 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 t -75.34 -59.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.05 111.19 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.9 mt -51.98 -41.14 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.89 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -73.64 -25.31 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 75.33 110.894 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -49.5 69.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.914 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.9 tt -73.99 -34.59 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 74.43 111.167 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -31.52 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 75.01 110.892 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -86.98 -31.57 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 75.33 111.128 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.48 -40.13 65.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 62.53 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -175.39 25.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.92 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.61 -22.8 75.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 64.41 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.09 25.49 68.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 71.03 112.476 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.74 88.93 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 63.42 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 p -55.78 -29.39 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.11 110.826 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.17 11.94 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.53 110.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.5 ' O ' HG12 ' A' ' 45' ' ' ILE . 1.8 t -45.96 -49.07 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 72.13 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.13 -35.14 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 62.22 111.093 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.0 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 62.35 110.868 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -63.92 -33.89 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 41' ' ' THR . 17.4 mm -77.08 -31.89 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.09 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -66.31 -45.25 80.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 75.31 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.42 -34.06 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.101 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -73.11 -53.85 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.866 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.67 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.15 111.115 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -64.06 -55.91 18.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 73.34 110.912 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -59.01 -37.18 76.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.76 -49.59 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.18 -42.74 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.909 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -29.76 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.78 -48.86 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 55.23 111.075 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.91 -39.42 83.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.91 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -66.74 -44.09 82.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.08 66.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.35 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -83.63 -2.04 55.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 75.24 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -62.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.54 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.06 18.8 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.833 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -163.71 138.05 5.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.845 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -35.8 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 74.55 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.66 57.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.898 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.94 -31.26 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.07 -54.65 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 73.41 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.48 -27.91 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 73.22 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -53.2 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 74.14 110.876 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -69.7 -43.74 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 75.22 110.886 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -60.8 -30.29 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.865 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -77.69 -38.13 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.898 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -37.66 73.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.4 m -78.17 -35.72 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.136 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.93 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.129 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.0 p -76.23 -42.57 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.132 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 24.7 mmt -68.6 -53.77 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.86 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -58.33 -40.79 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.884 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -60.07 -53.37 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -56.49 -25.41 51.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.52 111.146 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -75.22 -39.21 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 65.44 110.898 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -71.92 -22.88 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.3 110.908 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -43.58 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 75.04 111.138 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 -68.24 -30.82 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -78.61 -31.91 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.942 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -58.63 -43.75 89.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.911 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.05 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 73.2 111.067 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.8 t -71.36 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 73.2 111.104 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.1 t -56.07 -29.32 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.116 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.071 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.782 0.325 . . . . 74.44 111.183 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 179.03 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.908 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.14 -42.29 93.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 71.1 110.844 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -35.09 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 75.23 110.874 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.69 -19.36 49.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -116.32 -13.53 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 61.32 111.146 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.9 mt -51.15 132.55 28.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.85 171.61 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 70.43 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -77.21 -21.6 53.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 53.31 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.36 -57.38 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 75.44 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.24 -30.84 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 75.14 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -69.7 -44.47 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 74.11 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.44 -34.68 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -74.79 -36.79 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 70.4 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -47.58 84.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.93 -43.78 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.082 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -62.22 -44.75 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.896 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -42.62 95.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 72.13 112.477 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.5 mt -66.3 -32.71 74.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 75.11 110.917 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -55.24 14.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.959 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.84 -38.34 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 72.51 110.934 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 t -74.71 -60.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.092 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.7 mt -51.26 -46.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.936 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -65.51 -30.12 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.879 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.51 55.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.883 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 tt -75.91 -34.17 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 73.34 111.106 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.407 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 20.1 t-20 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.7 m -82.14 -29.62 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 74.04 111.154 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -61.11 -47.44 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.41 110.926 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -162.95 19.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.11 -3.17 73.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 74.11 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.97 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 62.43 112.532 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 74.24 110.894 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -48.11 67.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 62.11 110.871 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.86 0.11 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.867 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.7 m -52.36 -60.37 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.139 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.84 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.107 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.75 -48.14 23.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.832 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.2 mttt -61.83 -54.38 42.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.907 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -60.25 -30.21 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 75.43 111.111 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -64.23 -53.9 41.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.6 pp -76.77 -31.11 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.123 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -69.81 -54.89 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.58 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.09 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -52.57 64.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 62.04 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.19 -46.01 92.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.893 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -53.38 -45.51 69.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 64.41 110.916 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -29.87 70.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 63.51 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.5 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 73.41 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.8 -36.14 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -71.09 -42.77 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.23 110.922 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.14 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 63.44 111.08 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -90.38 -1.92 57.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.01 110.869 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -71.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 72.13 110.838 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.82 15.48 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 72.01 110.858 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.13 148.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 70.52 110.905 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -42.45 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.57 59.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.888 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.11 -40.27 62.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 61.4 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.29 -48.51 79.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 74.03 110.898 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -70.59 -30.49 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 75.54 110.897 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.24 -32.35 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.868 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -74.54 -45.54 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.888 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -36.0 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.847 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.75 -27.75 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.875 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.54 -45.76 24.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.857 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.36 -37.57 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.899 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.8 m -77.34 -35.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.139 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.63 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.079 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.07 -42.51 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 72.44 111.173 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 12.7 mmt -67.71 -52.48 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 75.5 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -59.08 -41.39 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.886 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 74.03 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.22 -24.37 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 75.31 111.115 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -74.73 -45.57 43.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.898 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.85 -23.47 64.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 74.01 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.23 -44.91 12.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.53 111.135 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -32.69 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.933 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -26.49 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 75.05 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.27 -30.21 49.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 64.31 110.876 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.64 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 72.04 111.107 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 -30.16 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.31 111.121 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -31.36 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 64.21 111.126 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.44 111.116 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 71.24 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -149.47 -45.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.909 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -122.28 -27.47 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 55.44 110.834 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -28.08 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -83.07 -25.03 32.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 65.24 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 t -94.52 21.97 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.43 111.156 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.07 143.37 55.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.942 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.85 176.52 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.3 110.895 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.38 -22.38 57.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.837 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.97 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.2 -29.5 58.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 70.32 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -70.32 -50.87 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 74.41 110.853 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.39 77.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 73.02 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -47.05 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.886 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -55.64 -52.99 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 74.55 110.902 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.4 -41.21 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 72.42 111.111 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.71 -40.91 96.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 73.54 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.5 mt -71.79 -35.18 69.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 72.24 110.932 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 tp -63.61 -43.71 96.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.65 -33.95 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 37.4 t -77.12 -60.24 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.138 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HB3' HD13 ' A' ' 45' ' ' ILE . 4.1 mm? -50.46 -39.29 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.929 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -73.49 -29.53 62.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 61.32 110.878 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -49.81 74.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.864 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.5 -33.33 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.1 111.161 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -72.97 -25.16 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 62.44 110.9 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.1 m -84.61 -30.83 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.54 111.13 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tp -59.55 -39.73 84.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 71.51 110.911 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -174.7 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.849 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.42 -8.43 64.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.758 -0.734 . . . . 71.2 112.504 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -44.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 61.24 112.476 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 72.22 110.833 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.88 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.907 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.64 6.76 19.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 ' O ' HG12 ' A' ' 45' ' ' ILE . 29.4 m -58.25 -61.31 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.01 111.095 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.7 -37.65 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 73.5 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.7 -47.36 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 61.04 110.861 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -61.66 -53.89 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.873 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.417 HD13 ' HB3' ' A' ' 28' ' ' LEU . 3.9 mm -60.8 -30.6 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.104 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -63.56 -53.52 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -76.97 -32.44 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.127 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -67.97 -54.66 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.05 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.84 79.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.113 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -55.32 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.01 -45.15 91.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 74.34 110.884 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.32 -54.41 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.3 110.868 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -54.56 -45.51 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.919 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 74.41 111.116 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 75.25 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.49 -31.98 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.14 110.907 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -75.46 -49.04 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.881 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.34 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.2 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -93.4 -2.13 55.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 110.882 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 121.97 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.873 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -84.4 -16.78 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 53.02 110.854 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.32 -177.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.877 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -61.16 -33.91 74.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.892 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -38.49 53.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 73.41 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -68.0 -31.0 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.894 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -72.74 -53.7 10.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 71.41 110.917 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -42.49 94.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.885 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.71 -25.88 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 60.1 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -73.57 -53.5 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.81 -41.86 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.911 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -62.93 -29.67 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 63.34 110.882 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -78.79 -34.92 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.845 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -74.15 -33.75 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.86 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.1 m -77.59 -37.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 75.22 111.082 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.04 72.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.7 p -74.89 -42.19 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.113 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 19.8 mmt -70.54 -55.54 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.865 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.23 -41.53 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 70.21 110.832 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.46 -51.61 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 73.42 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -76.82 -37.93 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.96 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.12 -22.75 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -54.26 4.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.114 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 50.8 mtp180 -58.55 -41.88 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 75.23 110.872 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -25.96 68.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 74.24 110.884 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -31.03 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.889 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.61 -46.02 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.161 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.23 -38.77 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.124 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -75.14 -29.65 60.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 73.22 111.19 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 72.32 111.085 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.327 . . . . 73.14 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 179.18 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.62 -24.22 18.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.847 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -25.97 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.11 110.856 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -13.77 29.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 75.32 110.876 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.7 t -77.57 -17.34 57.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 65.04 111.148 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 pp -81.98 125.26 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.915 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.11 -170.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 70.14 110.878 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.22 -22.21 64.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -53.21 59.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.113 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.1 -29.48 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.23 110.892 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -69.78 -50.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.02 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.126 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -75.5 -46.83 30.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.05 -52.99 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.852 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.64 -44.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 74.21 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.19 -49.13 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 71.3 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.89 95.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 71.3 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.7 mt -64.07 -37.08 86.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 75.32 110.897 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.87 -47.71 76.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.933 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -59.4 -40.16 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.909 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 t -74.33 -57.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.146 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.6 mp -52.81 -44.9 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 75.43 110.883 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -66.07 -30.79 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.916 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -49.14 75.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 62.34 110.894 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.6 tt -75.64 -34.39 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.41 111.136 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -71.79 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.911 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 m -85.5 -29.98 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.157 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.78 -41.3 95.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 72.3 110.892 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -170.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.912 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.22 -2.25 60.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.508 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.47 -41.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.474 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.75 -61.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 71.44 110.86 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -67.76 -50.13 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.53 2.94 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 74.34 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.2 m -55.29 -62.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.131 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.77 -33.95 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.077 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.0 -51.21 26.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -64.11 -40.1 95.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.4 -31.78 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.172 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -70.88 -49.95 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.823 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.59 -31.83 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 72.23 111.122 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -74.33 -56.2 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.884 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.05 -36.52 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 65.44 111.084 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -74.41 -49.43 22.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.4 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.28 -50.09 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 70.35 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -46.51 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.892 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -52.79 -46.05 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.861 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.48 -29.89 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.11 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.58 -49.34 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.02 111.101 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.2 -35.88 76.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 75.53 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -70.99 -47.6 57.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.832 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.61 -30.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 43.54 111.082 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.81 -1.49 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -68.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.877 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 15.69 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 73.15 110.851 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -176.13 145.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.876 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.88 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 75.13 110.906 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -43.96 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.72 -31.13 59.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.86 -57.01 9.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -39.26 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 71.53 110.892 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.88 -30.39 71.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 m -73.6 -52.95 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.866 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -27.16 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 72.1 110.887 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -74.97 -31.59 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.93 -34.95 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.891 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.4 -36.41 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.3 m -76.94 -37.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 72.3 111.09 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.19 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.08 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 14.8 p -77.6 -42.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 74.42 111.136 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.89 -52.23 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.864 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -61.8 -35.52 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.873 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -62.8 -57.62 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 73.21 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.0 t -56.63 -24.08 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.24 111.163 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.29 -49.56 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 74.12 110.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -76.71 -23.4 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.878 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -80.62 -46.95 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.13 111.147 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.49 -36.46 78.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 71.43 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -25.93 57.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 75.42 110.921 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -46.44 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.877 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.74 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 72.35 111.101 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.89 -61.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 74.23 111.123 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -57.59 -28.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.53 111.104 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.108 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.431 ' N ' ' HZ1' ' A' ' 9' ' ' LYS . 27.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.759 0.314 . . . . 75.21 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -146.41 -44.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.918 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -116.61 -30.17 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.856 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HZ1' ' N ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.81 -28.08 50.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 70.3 110.92 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -75.08 -13.34 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.858 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -111.04 14.96 21.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.51 111.157 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.83 138.28 58.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 72.03 110.885 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 m -100.36 178.53 4.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 74.05 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -76.83 -21.99 54.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.74 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.054 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -54.8 -29.86 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.881 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -69.36 -51.03 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.833 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.66 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.01 111.103 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -73.27 -45.25 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -54.23 -52.91 59.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 65.41 110.852 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.36 -35.9 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.163 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -63.89 -39.6 94.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 71.04 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.97 -32.64 52.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.484 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.3 -41.75 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 74.41 110.873 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.96 -51.93 34.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.52 110.893 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.36 -36.77 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.941 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 t -77.3 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.155 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -52.18 -39.18 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.94 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -75.06 -26.65 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 63.45 110.892 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -48.9 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.53 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.8 tp -75.0 -34.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.24 111.147 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.1 -32.76 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.89 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -87.17 -31.95 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.141 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tp -52.89 -40.06 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 73.33 110.936 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -175.86 26.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.925 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.46 75.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 71.4 112.477 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.4 78.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 53.51 112.517 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -127.99 88.04 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 73.22 110.831 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -24.33 37.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.871 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.11 12.03 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.11 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.66 -46.97 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 73.43 111.172 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.85 -39.2 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.41 111.094 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -46.79 24.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 72.34 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -54.7 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.7 mm -61.5 -30.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 63.11 111.136 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -53.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.853 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 pp -77.39 -33.95 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 73.52 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -66.59 -53.77 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 74.43 110.82 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.01 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 52.41 111.104 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -55.57 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 72.45 110.881 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.35 -35.35 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.898 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.38 -50.87 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.75 -42.53 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -29.73 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.06 -49.39 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.41 111.119 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.27 -40.74 86.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.896 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -66.28 -44.35 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.32 110.898 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.48 -38.78 71.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.11 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -84.82 -1.57 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -65.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.41 110.871 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.86 15.64 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 54.21 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 131.45 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.913 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -51.96 -34.33 41.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -50.69 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.922 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -59.38 -29.83 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -73.89 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 72.24 110.932 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.843 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -64.51 -29.47 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -70.33 -56.89 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.874 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 71.32 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -78.18 -37.68 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 63.42 110.901 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -37.68 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.876 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.9 m -77.71 -36.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 74.15 111.103 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.03 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 75.22 111.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.1 p -76.66 -42.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 71.24 111.114 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.1 mmt -67.67 -53.35 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.45 110.89 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -60.09 -36.5 77.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.13 -56.14 21.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -56.78 -23.76 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.103 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -74.05 -48.05 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.3 110.919 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -70.93 -23.34 62.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -46.02 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 62.25 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.1 mtt180 -65.59 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -25.84 34.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.891 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.33 -26.04 63.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 74.05 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.1 -35.15 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 75.03 111.109 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.22 -30.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.143 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -29.19 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 75.51 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.099 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.728 0.299 . . . . 74.12 111.129 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -146.52 -44.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 65.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -115.42 -30.73 6.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.85 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -28.71 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.852 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.16 63.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 61.44 110.88 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -99.31 18.8 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.181 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 mt -72.65 139.8 47.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 72.42 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.0 -170.81 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 55.14 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -22.29 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.3 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 73.15 111.103 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -29.51 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -71.93 -39.78 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.907 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.77 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.882 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -33.44 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 73.14 110.877 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.63 -47.32 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 75.35 111.118 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.33 -45.56 76.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.86 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.04 -45.18 89.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 71.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.5 mt -65.54 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 74.25 110.891 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -51.65 60.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 74.01 110.885 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.41 -36.89 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.53 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.0 t -74.36 -60.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.159 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -48.9 -46.68 43.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 72.45 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -65.22 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 73.3 110.872 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -50.12 75.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.881 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.68 -43.41 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 75.43 111.134 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.5 t-20 -61.3 -25.42 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 74.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -84.22 -30.49 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 75.15 111.098 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tp -60.56 -39.71 88.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 73.4 110.925 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.89 26.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -101.65 1.38 52.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 60.3 112.437 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.12 -43.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 63.31 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.3 -60.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 73.44 110.871 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -40.07 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.87 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.61 10.12 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 61.45 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.8 p -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.098 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.77 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 63.33 111.056 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -51.36 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.856 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.8 mttm -62.55 -45.51 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.8 -31.47 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.31 111.157 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -50.36 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 70.23 110.882 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.7 pp -76.19 -33.63 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 71.21 111.118 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -69.43 -55.17 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 74.15 110.875 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.96 95.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.099 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.9 -55.37 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.835 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.39 -48.97 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.858 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -54.42 -51.28 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.44 110.876 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -53.53 -45.86 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.902 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.57 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.33 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 60.23 111.094 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.76 -31.73 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 71.1 110.938 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -75.68 -49.06 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.946 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.65 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 70.34 111.143 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -89.04 -9.99 49.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 74.51 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 121.58 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.832 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -87.44 -18.77 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.51 110.841 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.4 170.25 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.869 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -51.4 -33.94 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -33.28 57.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -31.6 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 64.23 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -70.45 -53.15 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.923 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -64.23 -42.04 96.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.13 -25.49 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -73.16 -51.53 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.37 -41.92 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.874 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.89 -31.53 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -79.83 -31.9 40.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 73.02 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -36.91 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.891 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.5 m -75.91 -39.22 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.139 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.24 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 73.2 111.093 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.56 -37.92 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.136 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -70.96 -54.78 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.899 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.34 -33.92 70.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.87 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -68.22 -43.07 78.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 72.31 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -27.68 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.55 111.193 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.73 25.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.24 -23.44 62.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 62.3 110.898 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.5 -46.59 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.05 111.153 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -63.96 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.873 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.71 -25.95 44.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 65.35 110.887 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.49 -35.21 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.923 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.35 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 73.1 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.89 -47.06 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.085 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -67.57 -29.77 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.172 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.12 111.072 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.868 0.366 . . . . 72.41 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -22.17 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -54.12 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.21 111.104 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -54.81 -29.81 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.91 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -69.88 -51.0 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.839 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.3 77.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.05 111.1 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -75.22 -47.41 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.615 ' ND2' HD11 ' A' ' 56' ' ' LEU . 46.4 t30 -54.74 -51.78 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.859 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.69 -46.76 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.135 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.42 -47.43 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.32 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.23 -45.02 84.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 61.15 112.485 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' CG1' ' A' ' 74' ' ' VAL . 39.0 mt -62.57 -40.9 98.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 75.03 110.907 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -62.33 -49.37 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.918 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -41.97 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.896 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG21 ' HB ' ' A' ' 74' ' ' VAL . 15.9 t -74.13 -59.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.22 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 45' ' ' ILE . 5.8 mp -50.23 -47.04 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 61.22 110.913 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.27 -30.06 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 65.14 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -50.24 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 63.13 110.847 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 11.3 tt -76.04 -34.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.05 111.128 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.722 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.7 t-20 -70.5 -26.43 63.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -86.06 -30.24 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.19 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.39 -39.95 89.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 51.35 110.917 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -172.83 26.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 53.21 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.34 1.72 57.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 72.41 112.509 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.72 -46.44 1.02 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 62.45 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 73.97 -63.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 50.43 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -68.1 -49.44 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 63.43 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.6 -0.52 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.884 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG12 ' A' ' 45' ' ' ILE . 28.7 m -51.39 -56.55 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 65.11 111.099 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.44 -37.39 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 42.4 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.96 -43.83 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 52.53 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -62.89 -54.49 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.722 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -62.31 -30.73 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 72.43 111.165 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -62.66 -53.84 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -76.47 -35.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.111 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -64.47 -53.69 44.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.83 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.84 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.068 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -49.18 74.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 60.32 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -65.86 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.905 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.26 -54.76 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 55.32 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.438 ' HA ' HD21 ' A' ' 56' ' ' LEU . 13.0 pt-20 -57.11 -33.33 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.16 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.32 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.13 -49.1 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.1 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.615 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.3 pp -67.17 -33.1 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -75.8 -51.0 13.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 71.52 110.915 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.38 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -8.04 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 122.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 65.1 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -18.98 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 52.35 110.849 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.5 170.22 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.99 28.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.923 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.03 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.917 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -32.22 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.898 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -69.33 -52.61 25.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -68.24 -27.75 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -70.37 -54.8 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.99 -43.15 79.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 64.33 110.905 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -59.51 -29.89 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.861 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 76' ' ' VAL . 42.5 mt-10 -78.0 -41.86 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 64.31 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -37.28 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 70.41 110.901 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.631 ' CG1' HD23 ' A' ' 24' ' ' LEU . 36.0 m -77.31 -36.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.131 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.77 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.11 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 77' ' ' MET . 12.7 p -76.16 -42.46 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.159 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 mmt -67.56 -52.66 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.872 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 25.9 ttt85 -59.24 -39.74 83.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.84 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -61.21 -46.41 90.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 63.52 110.903 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.17 -24.52 67.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 65.4 111.127 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.403 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.0 t80 -74.89 -46.39 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.938 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -78.96 -23.24 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 41.15 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -81.3 -41.8 21.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 54.54 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.59 -38.99 64.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 65.01 110.838 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.599 ' HB3' HD22 ' A' ' 34' ' ' LEU . 2.8 pttp -76.66 -25.67 53.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -53.0 -47.86 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.883 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.46 79.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.137 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.94 -45.54 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -77.08 -31.23 55.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 62.22 111.119 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.096 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.91 0.386 . . . . 74.3 110.834 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -72.46 -22.27 61.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 54.01 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.25 59.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 51.42 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.15 -29.6 58.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.852 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -69.86 -51.27 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.35 110.853 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.3 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -75.46 -46.93 29.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.72 -47.7 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 54.14 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.39 -34.19 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 64.11 111.131 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -64.25 -45.08 89.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.94 -32.04 61.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.521 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 74' ' ' VAL . 55.1 mt -77.3 -39.87 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 72.54 110.883 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.28 -39.5 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 54.34 110.915 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -71.01 -39.5 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.933 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.3 t -75.85 -57.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.145 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.9 mt -50.5 -43.7 55.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 35.1 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -69.49 -30.74 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.86 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -49.14 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.65 HD12 ' CG2' ' A' ' 80' ' ' THR . 8.3 tt -76.29 -34.79 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.135 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 7.3 t-20 -69.83 -26.02 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.909 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.8 m -85.69 -30.49 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 65.35 111.08 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.21 -39.8 87.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 74.12 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -173.74 26.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.93 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.06 -3.72 61.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 74.45 112.489 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.51 -42.62 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 63.14 112.487 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.65 -61.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 61.23 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.4 p -67.97 -49.47 61.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 33.13 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -2.03 42.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 m -51.55 -59.47 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 55.11 111.136 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.97 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.23 111.067 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -45.39 36.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 64.52 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.87 -54.73 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -60.61 -30.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.158 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.2 -52.98 56.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.892 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.41 -30.74 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.31 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.8 m170 -70.0 -54.17 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.861 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.21 76.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -55.52 33.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.91 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.39 -46.24 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 44.35 110.859 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.71 -53.87 46.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.882 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -53.56 -45.6 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.897 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.98 70.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 51.4 111.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.71 -49.37 18.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 62.22 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.26 -31.95 70.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.883 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -75.64 -48.82 20.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.887 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.77 75.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -92.62 -2.34 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.89 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.73 120.45 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 60.32 110.845 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 m -87.73 -15.48 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.28 -174.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 64.11 110.828 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -63.62 -33.66 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 40.04 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -41.65 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.927 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.85 -31.93 73.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.6 -51.66 22.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -67.77 -40.59 84.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.894 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.64 -30.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 65.22 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -73.7 -50.56 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.857 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 74' ' ' VAL . 6.9 ptt? -69.04 -34.76 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.2 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.17 -27.53 64.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 76' ' ' VAL . 11.1 tt0 -78.21 -49.35 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.891 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.05 -37.74 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.576 HG12 HD23 ' A' ' 24' ' ' LEU . 31.6 m -76.86 -34.87 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.148 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.25 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.095 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 77' ' ' MET . 14.1 p -77.68 -41.35 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.151 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 4.6 mmt -67.76 -52.22 39.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.904 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -62.31 -35.38 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -62.52 -57.39 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.65 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.6 -24.14 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.121 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.56 -49.44 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.91 -23.4 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -79.95 -46.49 16.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.54 111.18 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -74.63 -25.96 59.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.23 110.888 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.03 -42.55 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.28 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.121 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.47 -52.02 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 85' ' ' LYS . 9.4 t -68.04 -26.88 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 62.12 111.107 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.4 111.086 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.902 0.382 . . . . 61.42 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.53 -22.33 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.32 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 73.43 111.102 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.29 -29.53 58.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -68.88 -50.68 47.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 71.25 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 45.43 111.104 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.59 -46.67 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.852 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -54.54 -51.74 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.1 -48.68 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.87 -48.26 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.47 96.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.466 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -66.15 -31.66 72.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 43.03 110.899 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -67.71 -52.33 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.08 -38.98 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.0 t -74.45 -59.38 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 61.34 111.099 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.35 -46.13 62.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.921 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.81 -30.07 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.31 110.906 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -51.52 66.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.0 tt -75.55 -34.72 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 73.02 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.653 ' HB3' HG23 ' A' ' 41' ' ' THR . 9.5 t-20 -69.63 -27.12 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.873 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.5 m -86.69 -30.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.115 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.4 tp -60.47 -39.68 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 63.54 110.89 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -172.78 26.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.26 5.64 49.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 71.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.39 -45.44 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.676 -0.773 . . . . 70.42 112.507 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.16 -61.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 72.32 110.858 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m -68.07 -49.32 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 53.12 110.849 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.52 -4.71 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 70.22 110.85 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.3 m -51.26 -39.03 55.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 52.22 111.106 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 62.12 111.125 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.65 -41.06 61.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.864 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -48.92 63.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -63.04 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.198 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.66 -51.87 44.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.869 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.51 -32.94 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.2 111.139 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 47' ' ' ILE . 15.0 m-70 -70.87 -54.11 12.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.86 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 61.33 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -53.27 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.861 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.65 -49.86 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 71.42 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -58.99 -51.93 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.54 -45.18 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 62.45 110.885 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 70.12 111.092 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.43 -48.64 21.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 72.14 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -70.52 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.921 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.71 -49.79 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.69 78.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -92.28 -2.17 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 123.05 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 53.4 110.829 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -99.86 -19.43 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.03 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.36 174.32 1.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 65.4 110.874 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -28.95 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -52.45 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.902 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -34.22 74.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.54 -55.72 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.935 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -49.25 78.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.19 -30.39 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -57.49 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.815 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.649 ' O ' HG22 ' A' ' 74' ' ' VAL . 3.8 ptt? -67.98 -43.21 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -59.2 -28.63 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 42.42 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -78.63 -49.81 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -38.58 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 70' ' ' MET . 30.7 m -76.82 -36.09 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.16 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.67 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 32.33 111.085 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 77' ' ' MET . 11.7 p -76.95 -41.71 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.129 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.8 mmt -67.97 -53.11 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.904 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 tmt_? -59.92 -39.35 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 75.01 110.845 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.24 -46.53 89.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.859 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -63.64 -24.59 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.146 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -74.13 -46.68 41.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -79.75 -23.25 42.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 m -80.46 -42.36 22.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 60.21 111.13 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -74.66 -36.2 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.499 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.16 -25.82 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.901 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.45 -45.42 80.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 54.21 110.891 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.54 69.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 60.21 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.04 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 70.34 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -56.71 -31.99 65.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.43 111.123 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 63.13 111.083 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.933 0.396 . . . . 75.24 110.866 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -58.42 -22.44 54.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.93 87.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 64.34 111.046 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -54.91 -28.58 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.862 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -65.13 -50.75 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.89 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.6 94.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.068 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.75 -46.43 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -53.93 -45.23 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.908 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.23 -36.66 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.32 111.142 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.38 -46.31 89.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.94 -29.36 69.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 43.51 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 46.1 mt -77.21 -40.1 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 75.15 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 45' ' ' ILE . 1.6 tp -67.2 -39.62 86.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.867 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -71.01 -39.29 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.13 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 74' ' ' VAL . 15.0 t -75.91 -56.9 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.2 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 45' ' ' ILE . 48.1 mt -50.76 -44.03 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.88 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -69.74 -29.62 67.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.87 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.883 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG23 ' A' ' 80' ' ' THR . 5.7 tp -77.11 -34.21 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.13 111.111 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.538 ' CB ' HD11 ' A' ' 45' ' ' ILE . 12.5 t-20 -70.47 -26.55 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.885 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.9 m -86.06 -30.9 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 54.14 111.118 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.5 26.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.25 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.07 4.82 52.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.12 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.57 -47.41 1.0 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 65.24 112.502 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 73.9 -62.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 63.44 110.847 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p -68.12 -49.17 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.86 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -82.73 2.13 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.917 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.2 m -57.91 -59.24 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.176 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.49 -37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.02 111.119 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -46.79 24.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -60.95 -54.31 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.714 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.6 mm -61.91 -30.59 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -62.34 -53.29 57.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.74 -35.15 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 64.33 111.131 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.3 m170 -65.04 -54.61 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.853 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.37 63.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -54.0 -50.93 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.83 -44.34 93.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.07 -54.54 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 64.41 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 10.8 tp10 -54.59 -45.79 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.856 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.12 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 54.34 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -48.8 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.6 pp -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 70.5 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -75.34 -49.2 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.898 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.05 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 63.22 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -93.49 -3.7 52.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.18 121.75 9.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -92.94 -20.04 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.851 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.62 168.28 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.853 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -29.47 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 64.12 110.895 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -36.72 55.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.925 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -31.36 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -73.2 -54.31 8.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.905 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -61.89 -37.12 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 61.4 110.897 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.73 -25.98 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 71.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -73.79 -49.8 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 51.33 110.858 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.603 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 ppp? -72.37 -41.94 65.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 74.55 110.927 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.87 -28.01 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.83 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 76' ' ' VAL . 50.1 tt0 -78.56 -49.12 13.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.918 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -37.99 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.917 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 70' ' ' MET . 34.4 m -77.2 -35.7 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 60.32 111.096 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.99 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 77' ' ' MET . 11.9 p -77.53 -42.7 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.41 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.474 ' O ' HG22 ' A' ' 80' ' ' THR . 30.2 mmt -66.87 -51.88 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.885 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.5 -34.99 77.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 70.24 110.879 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.45 -56.58 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.873 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -58.58 -24.09 60.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.54 111.174 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 3.7 t80 -71.23 -48.96 48.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 71.44 110.919 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -79.9 -23.0 42.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 m -79.57 -43.08 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.184 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.417 ' HB2' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -74.56 -38.15 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.908 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.562 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.15 -25.9 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.925 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.73 -44.46 81.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.11 79.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.4 111.12 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.35 -54.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 61.3 111.092 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -62.36 -30.86 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.124 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.111 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.874 0.368 . . . . 62.02 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -72.57 -22.25 61.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.877 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.53 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.095 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.96 -29.88 57.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 63.22 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -67.5 -50.86 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.17 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.085 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -48.78 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -49.5 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.3 -49.91 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.2 -48.29 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.39 94.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 74' ' ' VAL . 41.9 mt -63.56 -38.84 92.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 73.52 110.927 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -62.42 -52.37 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.934 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -40.48 73.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.947 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG21 ' HB ' ' A' ' 74' ' ' VAL . 23.5 t -73.03 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.2 mm? -50.74 -48.21 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.51 110.959 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.0 ptt? -62.87 -29.92 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.887 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -53.48 53.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.12 -34.2 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.22 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.558 ' CB ' HD11 ' A' ' 45' ' ' ILE . 14.1 t-20 -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.857 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.0 m -80.78 -29.39 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.139 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD11 ' O ' ' A' ' 81' ' ' TYR . 63.6 mt -62.01 -47.54 84.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 73.31 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -162.94 19.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 60.32 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -83.0 -11.45 81.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 62.42 112.497 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.68 -42.2 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 72.42 112.484 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 74.5 110.862 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -68.09 -47.18 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.97 3.61 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.86 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 m -50.89 -57.12 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.125 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.09 -37.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.55 111.061 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.36 -43.68 32.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HD3' HD22 ' A' ' 32' ' ' ASN . 10.0 mttm -62.97 -54.13 43.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mm -62.89 -30.42 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 71.35 111.137 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -63.23 -52.21 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.31 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -35.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.475 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -65.31 -54.44 29.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.856 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.93 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.52 -49.34 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -65.05 -44.29 89.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.01 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.04 -54.71 41.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.7 tt0 -55.49 -45.06 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 70.22 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.34 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.05 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.57 -48.98 20.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.117 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.7 pp -69.54 -32.18 70.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.33 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -75.62 -47.34 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.9 80.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 61.21 111.102 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -85.6 -11.16 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 120.84 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 51.1 110.888 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -92.55 -14.04 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.842 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 -169.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -69.19 -34.58 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -37.08 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.913 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -31.5 69.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -73.99 -53.17 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.959 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.22 98.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 63.11 110.834 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.56 -26.62 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -70.82 -53.87 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.655 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -69.75 -43.17 72.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.84 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.2 -28.47 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 74.44 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 tt0 -78.78 -49.06 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.826 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -59.47 -38.54 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.943 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.663 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -76.84 -36.5 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 61.34 111.124 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.35 111.107 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -75.3 -43.06 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.14 111.104 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.7 mmt -66.61 -52.39 45.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.906 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.7 ttt-85 -58.51 -41.43 85.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.843 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -59.55 -47.75 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -24.12 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 61.01 111.168 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -74.86 -46.95 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.917 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.47 -23.76 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.23 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -44.25 12.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.154 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 88' ' ' VAL . 46.7 mtt180 -65.71 -32.79 74.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.867 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.5 -26.35 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.902 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.9 -33.93 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 61.4 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -28.48 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 70.33 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 84' ' ' ARG . 94.6 t -71.36 -54.28 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.156 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 85' ' ' LYS . 6.5 t -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.137 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.087 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.886 0.374 . . . . 71.32 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -55.82 -22.62 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.849 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -54.1 48.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -29.43 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 60.13 110.897 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -71.2 -40.34 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.64 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.44 111.099 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -36.68 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 56' ' ' LEU . 2.0 t30 -65.67 -45.92 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 62.31 110.891 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.02 -42.03 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 64.31 111.114 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.54 -49.14 77.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.93 89.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 43.23 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -66.17 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 54.32 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 HD12 ' CG2' ' A' ' 45' ' ' ILE . 7.0 tp -66.1 -38.01 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.936 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.56 -42.45 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.547 HG21 ' HB ' ' A' ' 74' ' ' VAL . 24.1 t -74.31 -56.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.01 111.097 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 45' ' ' ILE . 81.7 mt -49.92 -46.8 52.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.57 -29.07 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 42.15 110.856 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -50.34 73.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.854 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 81' ' ' TYR . 5.8 tp -76.33 -34.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.643 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.8 t-20 -70.59 -26.58 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 70.54 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 m -86.0 -30.65 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.13 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.1 tp -59.96 -39.23 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.2 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -174.32 26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.85 -1.91 59.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.473 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.88 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 52.23 112.487 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.53 -61.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 70.54 110.848 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -68.12 -49.52 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 45.35 110.842 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.9 -2.18 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 45' ' ' ILE . 47.6 m -51.24 -59.19 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 54.42 111.143 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.47 -38.14 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.05 111.075 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -44.04 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.821 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -63.87 -54.92 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.882 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.643 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -60.7 -30.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.03 111.119 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.81 -52.37 57.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.853 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.85 -29.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.7 m170 -71.41 -54.17 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.832 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.16 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 34.34 111.093 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -64.82 -49.88 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.871 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -64.35 -48.24 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.03 110.864 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.84 -54.73 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.01 -45.92 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.13 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.43 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.71 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -69.7 -31.9 70.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.907 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -75.37 -48.56 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.73 -36.15 80.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 64.01 111.093 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -89.29 -7.98 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.833 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 122.06 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.851 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -98.6 -18.29 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 61.32 110.901 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.52 168.97 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 72.12 110.84 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -51.35 -32.99 27.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 75.1 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -34.25 57.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.922 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -33.44 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.874 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -72.74 -53.54 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.917 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.33 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.898 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -70.19 -25.74 63.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 m -73.51 -50.48 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.32 110.819 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.3 -42.13 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 55.52 110.879 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 73.21 110.902 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.3 tp10 -78.52 -38.26 41.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.912 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -38.09 74.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.87 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 70' ' ' MET . 27.1 m -77.65 -35.87 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 64.42 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.1 91.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.5 p -77.15 -42.46 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.156 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.495 ' O ' HG22 ' A' ' 80' ' ' THR . 31.3 mmt -67.55 -52.46 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.851 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.57 -34.84 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.914 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.34 -57.4 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.847 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -56.88 -23.76 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.134 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.424 ' HA ' HD13 ' A' ' 31' ' ' ILE . 4.8 t80 -72.97 -48.72 34.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -77.72 -23.32 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 54.14 110.884 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.64 -43.58 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.32 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.3 mtt180 -71.34 -40.16 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.846 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.8 pttp -75.59 -25.69 57.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.915 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -51.75 -48.5 63.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.918 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.89 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.3 111.097 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.62 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.3 t -62.14 -29.99 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.131 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.12 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.913 0.387 . . . . 61.55 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -76.3 -21.92 55.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 75.31 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -29.81 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.87 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -72.16 -40.65 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.152 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.22 -38.42 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -62.82 -48.84 77.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.23 110.837 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.01 -44.38 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 70.01 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -56.32 -47.26 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 62.53 110.859 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.26 93.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.523 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 74' ' ' VAL . 28.1 mt -66.49 -31.72 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 73.31 110.925 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.598 HD12 ' CG2' ' A' ' 45' ' ' ILE . 1.8 tp -67.26 -55.57 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.875 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.92 -39.37 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.497 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.4 t -73.19 -60.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.135 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 45' ' ' ILE . 83.0 mt -51.62 -47.97 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 61.43 110.943 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -63.1 -29.7 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -53.37 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 74.04 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 ' OG1' ' A' ' 80' ' ' THR . 15.4 tt -75.53 -34.57 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.128 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.623 HD22 ' HD3' ' A' ' 44' ' ' LYS . 11.8 t-20 -64.05 -24.4 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.864 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.4 m -80.62 -29.86 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.15 111.141 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 81' ' ' TYR . 38.5 mt -61.01 -47.27 87.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -164.65 20.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.31 110.898 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -92.92 -1.97 67.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 71.33 112.479 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.59 -48.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 71.42 112.482 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 41' ' ' THR . 1.1 m 74.5 -61.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 52.51 110.823 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.0 p -78.59 -42.98 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.03 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.65 8.2 15.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.891 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' CA ' ' A' ' 38' ' ' SER . 18.6 p -49.41 -64.47 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.55 111.11 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.72 -34.59 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.12 111.115 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -74.35 -51.83 13.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.623 ' HD3' HD22 ' A' ' 32' ' ' ASN . 13.2 mttp -62.71 -54.0 45.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.598 ' CG2' HD12 ' A' ' 25' ' ' LEU . 4.6 mm -57.97 -30.25 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.01 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -66.29 -53.33 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -76.09 -28.45 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.116 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.2 m170 -73.36 -54.88 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.96 96.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.73 -52.2 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 65.03 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.43 -49.75 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 70.53 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -54.12 -52.35 61.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.843 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.4 tm-20 -53.25 -45.51 68.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.902 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.07 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 61.5 111.131 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.54 -49.94 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 54.5 111.083 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.2 pp -68.38 -38.78 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -68.59 -40.06 80.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.04 61.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -2.1 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -67.77 -72.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.13 15.72 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 61.04 110.845 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.62 141.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 64.35 110.846 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.37 74.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -34.01 58.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.51 -31.71 65.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.908 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -51.86 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.935 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -60.55 -38.62 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.879 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.89 -29.43 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -69.86 -56.42 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.873 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.633 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -65.2 -37.28 86.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.829 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 71.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -78.47 -37.04 44.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 73.03 110.878 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -71.36 -38.44 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 70' ' ' MET . 27.6 m -77.25 -36.32 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.115 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 77' ' ' MET . 13.0 p -76.43 -41.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.11 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.454 ' N ' HG13 ' A' ' 76' ' ' VAL . 20.4 mmt -68.55 -53.21 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -59.01 -41.38 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 62.24 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.52 -52.51 65.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.541 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.4 p -57.95 -24.98 60.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 70.42 111.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -75.15 -38.65 60.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.956 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.6 -22.78 60.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.867 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.1 mtt180 -65.32 -50.86 64.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 61.1 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -52.11 -31.27 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.98 -34.69 59.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.62 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.085 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.3 t -71.24 -30.2 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.115 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -26.13 64.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.54 111.113 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 64.21 111.121 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.89 0.376 . . . . 72.23 110.83 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -76.49 -22.28 54.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 70.12 110.917 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.51 111.113 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.14 -29.67 58.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -68.86 -50.87 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 60.44 111.115 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -72.13 -46.56 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 56' ' ' LEU . 33.8 t30 -54.6 -51.98 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.81 -41.45 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.163 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.67 -45.51 91.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.68 63.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 74' ' ' VAL . 36.4 mt -65.96 -41.46 91.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 71.51 110.883 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -50.83 69.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.919 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -56.41 -40.05 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.951 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 74' ' ' VAL . 39.3 t -74.72 -59.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' A' ' 45' ' ' ILE . 9.8 mp -50.46 -44.81 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 63.33 110.934 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -67.23 -29.81 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -49.67 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 73.32 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.7 tt -75.1 -34.79 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.14 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.622 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.32 -25.92 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.899 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 m -85.36 -30.61 23.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.14 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.0 tp -59.68 -39.72 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.953 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -174.21 26.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.51 -3.06 61.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 74.24 112.472 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.52 -44.41 1.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.727 . . . . 63.12 112.48 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 74.35 -61.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 54.42 110.889 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -67.97 -49.75 59.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 65.52 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.79 -1.04 45.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.3 110.865 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.7 m -54.43 -58.91 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 42.42 111.137 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.06 -38.04 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 31.2 111.066 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -44.98 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.859 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -54.52 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.831 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.8 mm -62.1 -30.19 48.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 54.01 111.134 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.01 -52.88 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' N ' HD12 ' A' ' 47' ' ' ILE . 22.0 m170 -66.75 -53.68 30.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 51.31 110.821 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.46 -51.28 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.056 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -55.2 -51.85 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.12 110.898 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.62 -28.65 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.14 -54.78 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.455 ' HA ' HD21 ' A' ' 56' ' ' LEU . 12.5 pt-20 -56.12 -33.87 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 70.24 110.938 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.05 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 51.21 111.115 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.33 -49.19 15.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -67.03 -33.31 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 62.42 110.951 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -75.52 -50.33 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 70.44 110.86 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -32.26 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 42.14 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -95.64 -2.89 47.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.38 121.5 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.861 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.96 -20.11 27.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.848 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 170.08 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 55.52 110.862 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.46 -32.21 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.3 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -34.35 55.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.24 110.849 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.81 -31.37 61.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 63.21 110.883 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -70.19 -53.79 15.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.901 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.5 ptm -64.28 -42.61 96.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.922 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.54 -26.75 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 71.04 110.829 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -51.66 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 62.03 110.852 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' VAL . 6.5 ptt? -71.28 -42.36 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.882 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.37 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 61.5 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.6 tm-20 -78.74 -37.03 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.855 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -71.77 -37.85 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 53.44 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.757 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -77.09 -37.09 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.093 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.37 88.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.32 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLU . 14.5 p -77.18 -42.66 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.42 111.115 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 22.9 mmm -66.34 -52.89 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.864 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.23 -56.67 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.571 ' CG2' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -58.66 -23.98 60.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.129 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 4.4 t80 -71.34 -50.2 34.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.57 -23.39 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -49.01 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -41.01 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.6 pttp -71.44 -25.86 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.54 -39.9 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.888 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.01 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.136 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.65 -49.34 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 42.12 111.108 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.4 t -69.35 -25.34 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.095 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.068 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.92 0.391 . . . . 70.53 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -61.49 -22.91 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 43.02 111.093 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.67 -29.38 59.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.882 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -67.04 -50.63 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -73.79 -49.52 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.26 -51.3 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.916 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.79 -34.12 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.13 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -64.11 -45.29 89.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.84 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 71.51 112.495 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 74' ' ' VAL . 62.1 mt -77.74 -35.44 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 63.22 110.86 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 45' ' ' ILE . 8.8 tp -67.91 -43.33 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' NE2' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -70.98 -36.07 72.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.94 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.692 HG21 ' HB ' ' A' ' 74' ' ' VAL . 4.4 t -76.37 -59.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.42 111.144 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 45' ' ' ILE . 94.4 mt -50.43 -43.23 54.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -69.02 -31.3 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.919 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -48.39 81.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.835 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.649 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.8 tt -76.15 -34.85 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.168 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.96 -25.66 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 60.34 110.884 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -85.43 -30.31 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.149 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.67 -40.54 92.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.917 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.22 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 61.1 110.897 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.78 -7.57 66.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 65.45 112.552 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.13 -38.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 65.12 112.537 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.76 -60.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 71.54 110.854 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 t -66.94 -46.73 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.879 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -83.08 3.84 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.923 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.2 m -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 70.24 111.137 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.27 -36.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.14 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -46.59 32.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -54.23 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 71.14 110.864 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.673 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -59.58 -30.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.15 111.156 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -53.41 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.847 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.99 -29.86 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.131 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.6 m170 -71.75 -55.02 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.832 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.84 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 31.21 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -52.78 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.902 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.01 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 63.25 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.8 -51.29 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.834 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -53.55 -45.1 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 75.41 110.905 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.02 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 71.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.56 -49.08 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.099 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.37 -33.91 73.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.884 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -73.99 -41.2 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 70.23 110.885 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.56 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 52.33 111.083 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -91.42 -1.87 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.908 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -72.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.846 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.36 12.8 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 51.55 110.852 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -177.78 159.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 64.45 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -32.64 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.919 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.48 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 52.11 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.78 -31.19 59.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.3 -53.83 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 70.2 110.928 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -25.71 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 64.24 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.54 -33.02 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -75.22 -42.11 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.52 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -73.21 -38.43 66.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.934 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.83 -27.39 64.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.89 -49.98 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -38.04 79.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.692 ' HB ' HG21 ' A' ' 27' ' ' VAL . 32.4 m -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.131 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.27 82.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 53.53 111.098 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 77' ' ' MET . 14.5 p -77.42 -41.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.51 111.15 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 14.7 mmt -67.94 -52.18 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.906 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 27' ' ' VAL . 38.5 ttt180 -62.24 -35.35 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.894 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.79 -57.4 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.649 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.4 t -57.42 -23.96 52.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 63.44 111.162 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.03 -49.42 36.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 73.13 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.78 -23.2 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 -46.13 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 50.12 111.15 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -70.01 -38.29 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.601 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.81 -25.87 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.92 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.8 -41.45 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.32 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.136 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.01 -61.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 61.33 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.7 t -55.38 -31.32 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.119 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.101 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.865 0.365 . . . . 52.44 110.844 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.39 -22.32 63.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 54.23 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -53.73 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 40.53 111.091 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -55.16 -29.53 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.04 110.859 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -70.26 -50.89 35.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.34 77.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.22 111.102 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -47.59 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -54.84 -52.64 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 50.41 110.892 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.39 -43.62 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -57.83 -46.59 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 61.13 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.57 94.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 55.42 112.529 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.548 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.3 mt -69.69 -35.49 75.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 73.32 110.881 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 45' ' ' ILE . 4.1 tp -66.27 -38.64 88.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -70.52 -41.12 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG21 ' HB ' ' A' ' 74' ' ' VAL . 30.1 t -75.39 -57.0 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 54.43 111.088 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.3 mt -49.62 -45.1 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.55 110.968 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -69.46 -29.48 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.825 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.06 75.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.664 HD12 ' CG2' ' A' ' 80' ' ' THR . 9.6 tt -75.45 -34.63 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.165 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.88 -25.84 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.908 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -85.54 -30.18 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.134 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.68 -40.77 93.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -171.72 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.916 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.8 -7.32 66.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 71.34 112.451 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.29 -38.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 54.12 112.51 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.73 -60.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 51.12 110.875 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -47.16 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 70.23 110.9 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -83.09 3.84 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 32' ' ' ASN . 58.9 m -59.69 -61.47 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 71.54 111.148 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.34 -36.96 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.01 111.114 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -75.67 -46.03 33.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.875 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -54.44 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 52.14 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 25' ' ' LEU . 4.7 mm -59.88 -30.6 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.51 111.143 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -64.93 -54.11 35.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.864 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.31 -30.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' ILE . 11.5 m-70 -70.39 -53.6 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.29 97.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.052 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -53.42 39.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.88 -48.97 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 55.52 110.841 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -53.35 -52.4 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.1 tm-20 -53.48 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.873 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.49 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 -49.0 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.094 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.59 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -75.63 -47.85 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 52.53 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -38.08 83.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.119 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -86.21 -10.05 55.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 121.97 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.852 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -93.71 -18.28 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.858 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.36 169.54 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.824 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.52 -33.06 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.51 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.952 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -36.45 63.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 51.22 110.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.1 -52.41 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.928 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -39.5 94.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.834 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.81 -25.89 63.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.833 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 -51.33 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.839 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.612 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -71.3 -41.54 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 72.33 110.892 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.41 -28.14 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.887 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -60.53 -38.29 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.637 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.2 m -76.58 -35.94 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.13 111.104 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.89 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 77' ' ' MET . 14.6 p -77.3 -41.54 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 80' ' ' THR . 11.9 mmt -67.41 -50.85 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -62.85 -35.91 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.86 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.42 -57.05 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.664 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.68 -24.36 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.52 111.118 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.63 -47.99 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -79.19 -23.09 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 53.03 110.911 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -79.42 -45.16 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.093 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -72.11 -40.64 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.2 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.632 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.59 -25.73 63.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.915 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.94 96.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.83 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.7 72.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.102 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.57 -58.44 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.106 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 t -58.79 -30.28 67.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.115 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 70.41 111.086 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.936 0.398 . . . . 54.14 110.814 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.8 -22.17 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.51 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.55 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.32 111.103 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.0 -29.92 58.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -68.64 -51.14 45.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 62.21 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.92 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.3 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.857 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.44 -51.49 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.874 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.9 t -68.9 -44.08 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.88 -42.06 79.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.21 50.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.47 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD23 ' CG1' ' A' ' 74' ' ' VAL . 38.8 mt -65.62 -39.74 91.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.86 0.362 . . . . 74.25 110.932 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 45' ' ' ILE . 4.2 tp -68.59 -54.41 16.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.13 110.879 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -56.66 -37.6 71.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 74' ' ' VAL . 14.5 t -76.3 -59.48 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 24' ' ' LEU . 18.9 mt -52.19 -38.37 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 65.04 110.942 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -76.2 -25.45 55.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.5 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -49.66 68.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.905 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.521 HD12 HD23 ' A' ' 34' ' ' LEU . 6.2 tp -75.32 -34.12 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.32 111.122 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 m -86.79 -31.57 20.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 63.14 111.174 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -52.23 -40.29 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.913 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -175.92 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.42 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.23 -22.0 74.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 60.15 112.53 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.96 21.58 79.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 73.23 112.528 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -127.52 87.63 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 74.32 110.817 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 p -55.99 -22.78 28.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 71.53 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.09 12.12 6.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.839 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.51 -46.93 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.173 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.09 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 63.53 111.108 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.02 -46.63 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -54.43 45.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 25' ' ' LEU . 5.4 mm -62.23 -30.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.158 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -61.86 -53.18 59.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.877 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.9 -34.87 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 47' ' ' ILE . 12.9 m-70 -65.52 -53.34 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.871 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.73 85.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.51 -55.44 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.6 -36.27 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.29 -50.1 61.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.9 tm-20 -53.52 -45.96 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.46 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 63.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.97 -48.98 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 53' ' ' GLU . 2.8 pp -69.47 -31.97 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.02 110.896 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.24 -46.74 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.27 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.33 111.094 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -88.33 -9.86 51.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.92 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.71 121.09 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.835 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -22.72 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 53.54 110.87 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 172.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -51.83 -30.4 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.881 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -36.53 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.26 -30.99 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.89 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -71.2 -55.18 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 73.4 110.906 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -62.07 -42.2 98.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.866 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.99 -28.58 69.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.846 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -71.11 -55.46 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.893 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -68.09 -43.1 79.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 63.42 110.918 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 62.0 t30 -60.29 -28.51 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.863 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -77.91 -49.99 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.841 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -38.84 80.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 70' ' ' MET . 35.0 m -77.42 -34.51 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' ASN . . . -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 65.14 111.074 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 77' ' ' MET . 9.5 p -76.63 -43.62 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.41 111.131 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' THR . 21.0 mmt -65.37 -52.61 52.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.869 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.61 -33.71 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.67 -57.21 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 60.11 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 77' ' ' MET . 9.0 t -58.08 -23.83 56.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.092 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.525 ' O ' HD22 ' A' ' 34' ' ' LEU . 6.1 t80 -72.03 -50.05 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.23 110.931 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -72.29 -23.91 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.916 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -46.7 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 71.32 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.3 mtt85 -65.29 -33.54 76.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.838 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -80.21 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.71 -26.08 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.833 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -33.35 19.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.109 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.7 t -71.73 -30.28 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.05 111.128 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -30.05 64.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.41 111.193 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.107 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.885 0.374 . . . . 72.04 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.65 -22.77 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 52.2 110.894 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.19 85.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.25 111.084 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.75 -30.07 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.961 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -62.37 -50.66 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 71.2 110.859 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.07 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.062 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -48.05 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -53.65 -53.2 55.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.72 -37.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 62.51 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -58.4 -47.43 83.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 34.52 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -32.45 81.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.772 -0.727 . . . . 60.22 112.525 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 HG12 ' A' ' 74' ' ' VAL . 77.7 mt -77.24 -33.86 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 64.44 110.954 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.75 -42.95 80.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.869 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -36.38 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 74' ' ' VAL . 16.2 t -75.92 -58.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.11 111.127 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 45' ' ' ILE . 44.6 mt -51.26 -45.08 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 61.03 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -66.67 -31.8 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.883 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 80' ' ' THR . 6.6 tt -77.01 -34.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 52.52 111.134 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.637 ' CB ' HD11 ' A' ' 45' ' ' ILE . 9.2 t-20 -69.38 -25.95 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.902 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -85.56 -30.46 23.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 45.5 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -60.28 -39.33 86.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.877 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -174.42 26.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -105.08 7.23 43.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.497 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.79 -50.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.491 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 65.03 110.831 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 t -66.75 -48.4 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.55 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 3.69 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 61.4 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 45' ' ' ILE . 24.7 m -50.93 -57.4 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 64.33 111.138 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.38 -37.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.087 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.47 -45.74 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.885 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -61.36 -54.5 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.637 HD11 ' CB ' ' A' ' 32' ' ' ASN . 4.8 mm -61.89 -30.51 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.21 111.155 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.41 -52.88 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.882 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.56 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.34 111.121 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' ILE . 21.4 m170 -65.72 -53.8 35.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.831 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.2 -52.34 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 35.11 111.071 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.77 -48.69 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.05 -40.38 82.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.53 -55.46 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -46.54 82.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.842 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -30.05 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.2 -49.72 18.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 43.33 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 70' ' ' MET . 1.5 pp -70.3 -31.38 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.934 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.54 -51.64 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.838 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.74 74.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 60.32 111.072 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -94.91 -3.59 48.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.25 123.39 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.22 110.844 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -90.13 -22.86 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 62.12 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.51 172.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 53.4 110.896 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -51.95 -29.95 22.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.874 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -36.99 56.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.892 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -34.77 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 73.41 110.921 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -67.11 -54.64 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.919 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -33.26 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.887 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -61.92 -50.4 72.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.867 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.4 m -62.94 -40.04 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.909 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 24' ' ' LEU . 57.4 mmm -65.43 -53.52 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 62.34 110.837 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.51 -25.82 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.898 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.62 -55.3 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 62.15 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.78 -37.59 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.9 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 24' ' ' LEU . 21.8 m -77.54 -35.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.141 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.18 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.2 111.085 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 77' ' ' MET . 14.4 p -76.58 -40.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.148 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.44 ' HG3' HD23 ' A' ' 28' ' ' LEU . 20.3 mmt -71.5 -53.45 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.86 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -58.33 -41.04 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 64.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.01 -52.71 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.865 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.2 p -55.4 -25.88 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.179 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -75.47 -45.43 38.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 52.24 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -76.26 -23.5 54.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.63 -45.73 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 75.52 111.141 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.409 ' CB ' HD21 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -68.96 -32.41 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.825 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -81.33 -25.81 36.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.888 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.0 t-20 -57.74 -39.14 76.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 70.3 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -38.08 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.096 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.64 -46.38 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.132 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.0 t -74.31 -28.89 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.122 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 63.51 111.105 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.862 0.363 . . . . 74.41 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -72.07 -22.34 61.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.44 110.902 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.84 52.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.52 111.1 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.1 -29.62 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -70.13 -51.0 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.824 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.38 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.075 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -46.58 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.927 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -54.59 -48.86 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 71.04 110.913 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.08 -34.54 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.104 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -64.06 -44.31 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.96 -31.92 61.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.5 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 56.6 mt -77.59 -39.92 43.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.42 110.9 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.0 -40.76 87.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.05 110.956 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -70.57 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.929 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG21 ' HB ' ' A' ' 74' ' ' VAL . 12.3 t -74.55 -57.99 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 45' ' ' ILE . 84.6 mt -49.82 -47.57 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -65.96 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.86 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -53.81 53.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 53.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.451 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.3 tt -77.04 -34.66 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.137 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.62 HD22 ' HD3' ' A' ' 44' ' ' LYS . 15.4 t-20 -64.12 -23.51 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.901 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 m -80.77 -29.26 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 81' ' ' TYR . 58.4 mt -62.09 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.935 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -162.49 19.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.836 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -85.49 -8.76 80.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.23 112.493 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.36 -43.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.75 . . . . 61.12 112.523 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 44.32 110.893 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -68.54 -46.66 68.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 54.43 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.78 2.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.852 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -50.47 -57.47 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.29 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.42 111.058 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -45.51 26.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.871 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HD3' HD22 ' A' ' 32' ' ' ASN . 12.1 mttm -61.73 -54.4 43.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.87 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 25' ' ' LEU . 5.0 mm -62.34 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.64 -52.69 62.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.854 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.95 -35.36 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.461 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.1 m170 -64.87 -54.19 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.857 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.24 61.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -53.92 -53.73 48.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.892 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.84 -44.23 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.14 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -53.52 -45.55 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.888 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 64.22 111.119 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.32 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 54.11 111.085 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.45 -31.87 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.915 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -75.8 -47.28 26.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.882 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.82 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 65.43 111.126 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -86.99 -8.6 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.52 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 121.12 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 62.31 110.843 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -93.38 -16.84 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 62.22 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 168.51 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.88 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.44 -34.16 33.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 75.1 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.86 57.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.884 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -73.64 -35.51 65.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 74.23 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -65.79 -51.92 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.932 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -41.32 89.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.27 -30.2 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.84 -52.17 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.815 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.0 ptt? -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.864 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -68.56 -27.5 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 53.14 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.33 -50.04 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.52 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.85 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.04 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.556 HG12 HD23 ' A' ' 24' ' ' LEU . 33.3 m -77.25 -36.3 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.79 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.088 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.17 -42.66 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.119 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.1 mmt -67.38 -52.63 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.895 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 tmt_? -59.2 -40.81 86.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.867 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -59.86 -49.37 77.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -61.15 -24.39 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.53 111.069 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.468 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.36 -47.35 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 75.25 110.924 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 64.31 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -44.7 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 70.21 111.093 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.1 mtt-85 -67.01 -33.51 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.838 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.21 -25.85 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 70.31 110.87 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.99 -33.12 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 54.35 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.9 -30.8 21.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.13 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' ARG . 78.5 t -67.43 -47.84 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.138 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 85' ' ' LYS . 4.6 t -69.76 -27.54 65.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 62.32 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 61.41 111.054 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.893 0.378 . . . . 73.11 110.839 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.05 -22.25 58.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.01 110.87 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.12 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 62.42 111.102 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -55.06 -29.6 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.913 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.52 -50.99 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.884 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.95 85.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.092 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -44.43 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 62.31 110.919 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.56 -48.97 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.82 -39.03 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.108 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.884 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.88 81.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 71.33 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 74' ' ' VAL . 68.3 mt -68.1 -37.0 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 75.22 110.891 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -65.62 -53.48 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.92 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.96 -37.41 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 63.4 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.704 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.5 t -74.67 -60.34 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.53 111.126 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 45' ' ' ILE . 1.4 mm? -52.48 -45.46 66.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.928 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -64.53 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.31 110.86 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -48.62 77.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 75.35 110.849 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 14.4 tt -76.03 -34.85 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.14 111.112 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.679 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER -71.32 -26.11 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.887 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 m -85.74 -29.89 23.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 71.54 111.191 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.4 tp -60.95 -40.52 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -171.81 26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.64 -2.39 61.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.489 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.48 -42.93 1.27 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 63.41 112.471 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 71.32 110.838 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -67.12 -50.5 61.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.866 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.26 -6.04 59.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 71.43 110.849 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 32' ' ' ASN . 20.4 m -48.03 -60.07 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.133 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.47 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -44.16 82.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.82 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -45.81 90.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 63.13 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.628 HG22 HD12 ' A' ' 25' ' ' LEU . 3.3 mm -62.7 -29.97 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 61.02 111.115 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -68.59 -51.15 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.5 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.97 -27.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.168 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -75.76 -55.19 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.888 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.15 77.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.075 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.05 -49.02 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.54 110.945 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.05 110.874 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -55.85 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 70.32 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.33 -46.88 69.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.93 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.22 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.51 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 62.34 111.097 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 66' ' ' TYR . 1.1 pp -70.33 -31.57 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 55.2 110.954 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.37 -49.63 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 -34.23 77.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 44.31 111.091 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -91.1 -6.55 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.13 110.944 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.82 121.87 10.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 73.44 110.851 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.1 m -91.47 -19.12 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 54.14 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.2 170.68 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 62.23 110.838 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -51.62 -32.85 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.952 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -34.56 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.902 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.888 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' HD12 ' A' ' 56' ' ' LEU . 67.1 t80 -69.41 -52.68 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.5 110.92 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptm -64.32 -39.3 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.13 -31.03 71.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.881 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -71.35 -49.77 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.889 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . 9.1 ptm -70.78 -42.39 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.53 110.874 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -60.92 -31.23 70.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 70.12 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.0 tt0 -78.29 -37.64 44.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 51.43 110.879 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -37.82 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.704 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.8 m -77.69 -36.42 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 70.55 111.159 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.94 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.127 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 11.4 p -75.29 -42.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 28.7 mmt -68.19 -53.54 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.9 tmt_? -57.83 -39.68 78.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.878 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.76 -48.83 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -24.96 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 60.12 111.129 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.408 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.9 t80 -75.36 -47.39 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.883 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.22 -23.22 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 53.21 110.898 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.34 -44.34 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.12 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -69.5 -36.36 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.851 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.553 ' HB3' HD22 ' A' ' 34' ' ' LEU . 4.1 pttp -79.57 -25.92 41.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.63 -41.14 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.46 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.074 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.2 -50.3 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.117 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.9 t -69.68 -29.4 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.174 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.114 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.844 0.354 . . . . 71.35 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.81 -22.26 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.61 55.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -54.93 -29.74 57.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -69.15 -50.92 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.32 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.34 83.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 12.54 111.092 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -73.22 -47.13 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.894 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 56' ' ' LEU . 27.3 t30 -54.52 -52.36 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.18 -40.47 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 71.13 111.115 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 -39.16 57.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 61.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' CG1' ' A' ' 74' ' ' VAL . 53.4 mt -68.42 -40.68 81.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 71.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.37 -53.36 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.931 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.3 -38.45 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.906 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG21 ' HB ' ' A' ' 74' ' ' VAL . 11.0 t -75.34 -59.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.22 111.19 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 24' ' ' LEU . 16.9 mt -51.98 -41.14 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -73.64 -25.31 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 44.02 110.894 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -49.5 69.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.914 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.518 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.9 tt -73.99 -34.59 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.15 111.167 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -31.52 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.892 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -86.98 -31.57 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 75.33 111.128 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.4 tp -53.48 -40.13 65.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -175.39 25.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.92 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.61 -22.8 75.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 64.41 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.09 25.49 68.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 70.22 112.476 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.74 88.93 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 63.42 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 p -55.78 -29.39 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.11 110.826 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.17 11.94 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 45' ' ' ILE . 1.8 t -45.96 -49.07 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 71.54 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 41' ' ' THR . . . -44.13 -35.14 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 62.01 111.093 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.0 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 62.35 110.868 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -63.92 -33.89 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 41' ' ' THR . 17.4 mm -77.08 -31.89 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.09 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -66.31 -45.25 80.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.42 -34.06 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.101 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -73.11 -53.85 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.866 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.67 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.115 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -64.06 -55.91 18.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 73.24 110.912 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -59.01 -37.18 76.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.76 -49.59 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.9 tm-20 -53.18 -42.74 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.15 110.909 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -29.76 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.78 -48.86 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 55.23 111.075 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 57' ' ' PHE . 3.1 pp -67.91 -39.42 83.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.564 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.7 t80 -66.74 -44.09 82.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.841 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.08 66.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -83.63 -2.04 55.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 64.31 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -62.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 44.24 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.06 18.8 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.833 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -163.71 138.05 5.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.845 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -35.8 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 74.55 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.66 57.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.4 110.898 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.94 -31.26 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.07 -54.65 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 54.15 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.48 -27.91 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 54.43 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -53.2 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.876 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.6 ptt? -69.7 -43.74 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 71.34 110.886 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -60.8 -30.29 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.865 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.9 tt0 -77.69 -38.13 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.898 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -37.66 73.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.569 ' CG1' HD23 ' A' ' 24' ' ' LEU . 35.4 m -78.17 -35.72 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.02 111.136 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.93 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.129 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.23 -42.57 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.456 ' N ' HG13 ' A' ' 76' ' ' VAL . 24.7 mmt -68.6 -53.77 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.86 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 27' ' ' VAL . 14.7 ttt-85 -58.33 -40.79 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -60.07 -53.37 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.518 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.1 p -56.49 -25.41 51.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.52 111.146 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 t80 -75.22 -39.21 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 65.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -71.92 -22.88 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.3 110.908 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -43.58 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.24 111.138 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.578 ' CB ' HD21 ' A' ' 34' ' ' LEU . 3.3 mtt85 -68.24 -30.82 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HG22 ' A' ' 89' ' ' THR . 20.6 ptmt -78.61 -31.91 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.942 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.9 m-20 -58.63 -43.75 89.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.911 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.05 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 45.22 111.067 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 84' ' ' ARG . 87.8 t -71.36 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 72.12 111.104 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 85' ' ' LYS . 12.1 t -56.07 -29.32 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.116 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.071 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.869 0.366 . . . . 70.43 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -77.21 -21.6 53.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 53.31 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.36 -57.38 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.14 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.24 -30.84 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -69.7 -44.47 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.44 -34.68 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -74.79 -36.79 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.52 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -47.58 84.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.93 -43.78 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.082 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -62.22 -44.75 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 74.2 110.896 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -42.62 95.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 21.32 112.477 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 74' ' ' VAL . 27.5 mt -66.3 -32.71 74.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 75.11 110.917 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -55.24 14.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.959 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.84 -38.34 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 72.51 110.934 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 78' ' ' ARG . 14.1 t -74.71 -60.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 45' ' ' ILE . 79.7 mt -51.26 -46.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.936 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -65.51 -30.12 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.879 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.51 55.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.883 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.0 tt -75.91 -34.17 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.106 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.569 ' CB ' HD11 ' A' ' 45' ' ' ILE . 20.1 t-20 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.7 m -82.14 -29.62 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 64.41 111.154 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 81' ' ' TYR . 59.3 mt -61.11 -47.44 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.926 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -162.95 19.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.11 -3.17 73.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 74.11 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.97 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 62.43 112.532 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 74.24 110.894 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -48.11 67.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 62.1 110.871 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.86 0.11 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.867 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 45.7 m -52.36 -60.37 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.139 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.84 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.107 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.75 -48.14 23.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.832 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.2 mttt -61.83 -54.38 42.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.907 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 28' ' ' LEU . 5.7 mm -60.25 -30.21 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.34 111.111 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -64.23 -53.9 41.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.6 pp -76.77 -31.11 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.123 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -69.81 -54.89 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.58 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.09 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -52.57 64.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 62.04 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.19 -46.01 92.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.893 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.0 tm-20 -53.38 -45.51 69.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 60.1 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -29.87 70.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 50.45 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.5 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 73.41 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.3 pp -68.8 -36.14 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -71.09 -42.77 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.922 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.14 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 44.2 111.08 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -90.38 -1.92 57.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 70.42 110.869 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -71.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 60.51 110.838 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.82 15.48 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 65.44 110.858 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.13 148.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 70.52 110.905 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -42.45 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.34 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.57 59.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 61.35 110.888 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.11 -40.27 62.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 53.13 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.29 -48.51 79.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 74.03 110.898 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -70.59 -30.49 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 62.41 110.897 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.24 -32.35 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.868 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -74.54 -45.54 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.888 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.496 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -70.62 -36.0 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.847 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.75 -27.75 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.875 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 76' ' ' VAL . 36.0 mt-10 -77.54 -45.76 24.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.857 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.36 -37.57 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.899 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 24' ' ' LEU . 29.8 m -77.34 -35.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.139 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.63 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.079 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 77' ' ' MET . 11.1 p -76.07 -42.51 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 72.44 111.173 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 76' ' ' VAL . 12.7 mmt -67.71 -52.48 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 64.42 110.874 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' HG13 ' A' ' 27' ' ' VAL . 22.0 ttt-85 -59.08 -41.39 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.886 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.427 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -61.22 -24.37 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 75.31 111.115 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.73 -45.57 43.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.898 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.85 -23.47 64.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.23 -44.91 12.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.135 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -32.69 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.933 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -26.49 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.27 -30.21 49.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 64.31 110.876 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.64 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 62.22 111.107 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 -30.16 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.21 111.121 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -31.36 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 35.15 111.126 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 61.42 111.116 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.872 0.368 . . . . 72.21 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.38 -22.38 57.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.837 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.97 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.2 -29.5 58.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 70.13 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -70.32 -50.87 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.853 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.39 77.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 72.33 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -47.05 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.886 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' ND2' HD11 ' A' ' 56' ' ' LEU . 32.4 t30 -55.64 -52.99 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.902 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.4 -41.21 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.111 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.71 -40.91 96.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 62.32 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 74' ' ' VAL . 72.5 mt -71.79 -35.18 69.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 62.31 110.932 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 45' ' ' ILE . 13.0 tp -63.61 -43.71 96.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.892 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.65 -33.95 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' HB ' ' A' ' 74' ' ' VAL . 37.4 t -77.12 -60.24 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.138 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.1 mm? -50.46 -39.29 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.929 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -73.49 -29.53 62.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 42.32 110.878 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -49.81 74.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 50.23 110.864 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' HB2' ' A' ' 81' ' ' TYR . 2.0 pp -75.5 -33.33 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.161 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.571 ' CB ' HD11 ' A' ' 45' ' ' ILE . 10.7 t-20 -72.97 -25.16 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 44.55 110.9 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.1 m -84.61 -30.83 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 51.25 111.13 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.2 tp -59.55 -39.73 84.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -174.7 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.849 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -91.42 -8.43 64.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.758 -0.734 . . . . 42.25 112.504 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -44.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 61.23 112.476 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 65.13 110.833 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.88 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 60.33 110.907 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.64 6.76 19.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' ILE . 29.4 m -58.25 -61.31 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.01 111.095 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.7 -37.65 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 60.53 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.7 -47.36 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 61.04 110.861 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -61.66 -53.89 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.2 110.873 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.681 HG22 HD12 ' A' ' 25' ' ' LEU . 3.9 mm -60.8 -30.6 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.104 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -63.56 -53.52 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.97 -32.44 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.127 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' N ' HD12 ' A' ' 47' ' ' ILE . 10.2 m-70 -67.97 -54.66 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.877 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.84 79.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.113 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -55.32 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.01 -45.15 91.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.884 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.32 -54.41 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.02 110.868 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HA ' HD21 ' A' ' 56' ' ' LEU . 7.7 tm-20 -54.56 -45.51 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.116 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 75.25 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.65 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.6 pp -69.49 -31.98 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.14 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -75.46 -49.04 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.881 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.34 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 61.11 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -93.4 -2.13 55.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.41 110.882 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 121.97 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.873 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -84.4 -16.78 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 53.02 110.854 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.32 -177.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.877 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -61.16 -33.91 74.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.892 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -38.49 53.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 61.51 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -68.0 -31.0 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.894 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -72.74 -53.7 10.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.917 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -42.49 94.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.885 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.71 -25.88 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 60.1 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -73.57 -53.5 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -69.81 -41.86 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.911 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' HA ' HG22 ' A' ' 74' ' ' VAL . 10.0 t30 -62.93 -29.67 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 60.42 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.0 tt0 -78.79 -34.92 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.845 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -74.15 -33.75 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.14 110.86 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.801 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.1 m -77.59 -37.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.22 111.082 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.04 72.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 77' ' ' MET . 13.7 p -74.89 -42.19 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.113 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.46 ' N ' HG13 ' A' ' 76' ' ' VAL . 19.8 mmt -70.54 -55.54 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 ttt180 -55.23 -41.53 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.832 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.46 -51.61 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.79 ' HB2' HG22 ' A' ' 31' ' ' ILE . 2.2 t80 -76.82 -37.93 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.96 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.12 -22.75 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -54.26 4.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.114 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 88' ' ' VAL . 50.8 mtp180 -58.55 -41.88 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 71.31 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -25.96 68.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 65.22 110.884 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -31.03 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.889 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.61 -46.02 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.161 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 84' ' ' ARG . 91.3 t -63.23 -38.77 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -75.14 -29.65 60.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.53 111.19 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.51 111.085 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.891 0.376 . . . . 52.23 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.22 -22.21 64.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.03 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -53.21 59.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 63.54 111.113 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.1 -29.48 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.892 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -69.78 -50.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 70.31 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.02 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.126 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -75.5 -46.83 30.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.05 -52.99 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.852 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.64 -44.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.19 -49.13 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 71.3 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.89 95.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 71.3 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.7 mt -64.07 -37.08 86.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 75.32 110.897 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.87 -47.71 76.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.933 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' MET . 56.2 mm-40 -59.4 -40.16 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.909 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.719 HG21 ' HB ' ' A' ' 74' ' ' VAL . 35.2 t -74.33 -57.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.33 111.146 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 48' ' ' HIS . 3.6 mp -52.81 -44.9 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 51.2 110.883 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 16.9 ptt? -66.07 -30.79 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.916 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -49.14 75.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.11 110.894 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 80' ' ' THR . 10.6 tt -75.64 -34.39 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.42 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.707 ' HB3' HG23 ' A' ' 41' ' ' THR . 4.7 t-20 -71.79 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.911 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 m -85.5 -29.98 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.157 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.1 tp -60.78 -41.3 95.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -170.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.912 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.22 -2.25 60.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.508 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.47 -41.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.474 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.75 -61.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 71.44 110.86 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -67.76 -50.13 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.53 2.94 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 60.44 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 32' ' ' ASN . 26.2 m -55.29 -62.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.131 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.77 -33.95 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.077 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.0 -51.21 26.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -64.11 -40.1 95.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp -64.4 -31.78 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.172 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -70.88 -49.95 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.823 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.59 -31.83 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.122 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' HD21 ' A' ' 28' ' ' LEU . 3.4 t-160 -74.33 -56.2 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.884 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.05 -36.52 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 63.3 111.084 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -74.41 -49.43 22.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.4 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.28 -50.09 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 65.04 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' HD2' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.58 -46.51 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 60.45 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.586 ' OE1' HD11 ' A' ' 56' ' ' LEU . 6.9 tp10 -52.79 -46.05 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.861 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.48 -29.89 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 51.14 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.58 -49.34 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.02 111.101 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.1 pp -69.2 -35.88 76.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.876 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -70.99 -47.6 57.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.832 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.61 -30.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 43.54 111.082 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.81 -1.49 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -68.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 54.05 110.877 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 15.69 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 44.12 110.851 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -176.13 145.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.876 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.88 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.906 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -43.96 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.72 -31.13 59.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.86 -57.01 9.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -39.26 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 61.12 110.892 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.88 -30.39 71.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 m -73.6 -52.95 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.866 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.539 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -67.56 -27.16 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.887 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -74.97 -31.59 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.32 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -77.93 -34.95 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.891 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.4 -36.41 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.719 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.3 m -76.94 -37.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.09 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.19 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.08 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 77' ' ' MET . 14.8 p -77.6 -42.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 63.41 111.136 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 80' ' ' THR . 31.5 mmt -67.89 -52.23 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.864 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' HG13 ' A' ' 27' ' ' VAL . 34.0 ttt180 -61.8 -35.52 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -62.8 -57.62 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 71.02 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.651 HG23 HD12 ' A' ' 31' ' ' ILE . 9.0 t -56.63 -24.08 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 55.43 111.163 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.29 -49.56 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -76.71 -23.4 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.878 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -80.62 -46.95 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.13 111.147 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.49 -36.46 78.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.607 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.72 -25.93 57.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.921 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -46.44 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.877 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.74 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 51.34 111.101 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.89 -61.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 45.34 111.123 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -57.59 -28.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.53 111.104 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.108 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.908 0.385 . . . . 55.32 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -76.83 -21.99 54.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 63.13 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.74 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.054 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -54.8 -29.86 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.881 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -69.36 -51.03 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.833 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.66 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.01 111.103 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -73.27 -45.25 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -54.23 -52.91 59.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.852 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.36 -35.9 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.163 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -63.89 -39.6 94.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 71.04 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.97 -32.64 52.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.484 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -74.3 -41.75 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 73.14 110.873 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.96 -51.93 34.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.14 110.893 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.36 -36.77 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.941 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 78' ' ' ARG . 12.4 t -77.3 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.155 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 24' ' ' LEU . 12.7 mt -52.18 -39.18 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.94 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -75.06 -26.65 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.892 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -48.9 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.53 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 80' ' ' THR . 3.8 tp -75.0 -34.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.24 111.147 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.1 -32.76 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.89 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -87.17 -31.95 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.141 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.3 tp -52.89 -40.06 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.936 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -175.86 26.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.925 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.46 75.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 71.4 112.477 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.4 78.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 53.51 112.517 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -127.99 88.04 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 73.22 110.831 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -24.33 37.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.871 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.11 12.03 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.9 t -44.66 -46.97 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.13 111.172 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 41' ' ' THR . . . -45.85 -39.2 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 55.15 111.094 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -46.79 24.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 61.24 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -54.7 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 45' ' ' ILE . 5.7 mm -61.5 -30.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 63.11 111.136 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -53.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 62.53 110.853 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.39 -33.95 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.13 111.138 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 47' ' ' ILE . 16.2 m170 -66.59 -53.77 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.82 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.01 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 45.32 111.104 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -55.57 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 64.44 110.881 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.35 -35.35 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.898 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.38 -50.87 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.691 ' OE1' HD11 ' A' ' 56' ' ' LEU . 9.0 tp10 -52.75 -42.53 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -29.73 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.15 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.06 -49.39 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.41 111.119 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.9 pp -67.27 -40.74 86.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 9.7 t80 -66.28 -44.35 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.898 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.48 -38.78 71.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.11 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -84.82 -1.57 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -65.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 64.23 110.871 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.86 15.64 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.4 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 131.45 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.913 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -51.96 -34.33 41.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -50.69 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.922 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -59.38 -29.83 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -73.89 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 71.55 110.932 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 45.31 110.843 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -64.51 -29.47 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -70.33 -56.89 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 42.01 110.874 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 62.34 110.875 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.3 tt0 -78.18 -37.68 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -37.68 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.876 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD23 ' A' ' 24' ' ' LEU . 33.9 m -77.71 -36.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 74.15 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.03 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 44.02 111.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 12.1 p -76.66 -42.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.114 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 13.1 mmt -67.67 -53.35 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.45 110.89 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 11.0 ttt180 -60.09 -36.5 77.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.13 -56.14 21.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.44 HG23 HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -56.78 -23.76 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.103 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.0 t80 -74.05 -48.05 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.919 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -70.93 -23.34 62.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -46.02 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 51.35 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.1 mtt180 -65.59 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.911 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -25.84 34.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.891 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.33 -26.04 63.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 51.15 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.1 -35.15 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 73.21 111.109 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.9 t -69.22 -30.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.143 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -29.19 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 75.51 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.099 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.868 0.366 . . . . 54.41 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -22.29 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.3 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.05 111.103 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -29.51 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.6 mtt180 -71.93 -39.78 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.51 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.77 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 70.13 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.882 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -33.44 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 65.33 110.877 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 17' ' ' ARG . 37.3 t -71.63 -47.32 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.33 -45.56 76.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.86 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.04 -45.18 89.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 71.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 74' ' ' VAL . 57.5 mt -65.54 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 61.41 110.891 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.84 -51.65 60.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 74.01 110.885 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.41 -36.89 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.741 HG21 ' HB ' ' A' ' 74' ' ' VAL . 40.0 t -74.36 -60.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.159 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.0 mm? -48.9 -46.68 43.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.896 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -65.22 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.12 110.872 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -50.12 75.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.881 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 27' ' ' VAL . 1.1 mp -75.68 -43.41 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.5 t-20 -61.3 -25.42 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 74.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -84.22 -30.49 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 75.15 111.098 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.7 tp -60.56 -39.71 88.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 51.12 110.925 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.89 26.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -101.65 1.38 52.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 60.3 112.437 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.12 -43.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 63.31 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER 75.3 -60.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 73.44 110.871 -179.726 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -40.07 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 51.51 110.87 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.61 10.12 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 61.45 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 38' ' ' SER . 46.8 p -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.098 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.77 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 63.33 111.056 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -51.36 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.856 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.8 mttm -62.55 -45.51 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' CG2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.8 -31.47 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.23 111.157 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -50.36 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 61.14 110.882 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.19 -33.63 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 70.1 111.118 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.485 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.4 m-70 -69.43 -55.17 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.875 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.96 95.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.099 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.9 -55.37 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.835 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.39 -48.97 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.51 110.858 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -54.42 -51.28 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.876 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -53.53 -45.86 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.902 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.57 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.53 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.33 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 44.02 111.094 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.76 -31.73 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 55.41 110.938 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -75.68 -49.06 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.946 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.65 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 62.11 111.143 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -89.04 -9.99 49.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 54.52 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 121.58 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.832 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -87.44 -18.77 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.841 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.4 170.25 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.869 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -51.4 -33.94 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 45.32 110.907 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -33.28 57.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -31.6 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 64.23 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -70.45 -53.15 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.923 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -64.23 -42.04 96.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.13 -25.49 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -73.16 -51.53 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.64 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.37 -41.92 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.874 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.89 -31.53 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -79.83 -31.9 40.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 73.02 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -36.91 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.891 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.741 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.5 m -75.91 -39.22 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.139 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.24 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 51.34 111.093 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.56 -37.92 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.136 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.49 ' HB2' HG11 ' A' ' 27' ' ' VAL . 3.3 mmt -70.96 -54.78 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 62.33 110.899 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.618 ' HB3' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -58.34 -33.92 70.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.87 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -68.22 -43.07 78.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -27.68 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.55 111.193 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.73 25.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.24 -23.44 62.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 62.3 110.898 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.5 -46.59 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.05 111.153 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 88' ' ' VAL . 16.1 mtt85 -63.96 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.503 ' O ' HG22 ' A' ' 89' ' ' THR . 0.1 OUTLIER -78.71 -25.95 44.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 60.21 110.887 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.49 -35.21 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.923 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.35 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 64.44 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.6 t -62.89 -47.06 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.085 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 85' ' ' LYS . 11.1 t -67.57 -29.77 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.172 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.072 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.762 HG12 ' HG3' ' A' ' 7' ' ' GLN . 19.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.777 0.322 . . . . 72.23 111.101 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.762 ' HG3' HG12 ' A' ' 6' ' ' VAL . 47.1 mt-30 -146.81 -44.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.13 110.922 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 11' ' ' THR . 7.2 m-20 -113.36 -30.06 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 64.33 110.829 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.694 ' CE ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -78.82 -27.82 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 64.23 110.884 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -84.2 -23.54 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.878 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 8' ' ' ASP . 12.5 t -94.3 11.28 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.01 111.095 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' CD ' ' A' ' 16' ' ' GLU . 85.6 mt -61.04 155.06 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 -175.47 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.888 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -22.17 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -54.12 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.21 111.104 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.738 ' CD ' HD22 ' A' ' 12' ' ' LEU . 21.8 mt-10 -54.81 -29.81 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.91 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -69.88 -51.0 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.839 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.3 77.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.05 111.1 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -75.22 -47.41 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.615 ' ND2' HD11 ' A' ' 56' ' ' LEU . 46.4 t30 -54.74 -51.78 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.859 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.69 -46.76 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.135 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.42 -47.43 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.32 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.23 -45.02 84.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 61.15 112.485 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' CG1' ' A' ' 74' ' ' VAL . 39.0 mt -62.57 -40.9 98.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 75.03 110.907 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -62.33 -49.37 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.918 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -41.97 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.896 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG21 ' HB ' ' A' ' 74' ' ' VAL . 15.9 t -74.13 -59.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.22 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 45' ' ' ILE . 5.8 mp -50.23 -47.04 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 61.22 110.913 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.27 -30.06 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 65.14 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -50.24 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 63.13 110.847 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 11.3 tt -76.04 -34.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.05 111.128 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.722 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.7 t-20 -70.5 -26.43 63.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -86.06 -30.24 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.19 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.39 -39.95 89.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 51.35 110.917 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -172.83 26.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 53.21 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.34 1.72 57.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 72.41 112.509 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.72 -46.44 1.02 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 62.45 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 73.97 -63.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 50.43 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -68.1 -49.44 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 63.43 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.6 -0.52 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.884 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG12 ' A' ' 45' ' ' ILE . 28.7 m -51.39 -56.55 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 65.11 111.099 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.44 -37.39 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 42.4 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.96 -43.83 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 52.53 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -62.89 -54.49 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.722 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -62.31 -30.73 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 72.43 111.165 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -62.66 -53.84 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -76.47 -35.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.111 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -64.47 -53.69 44.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.83 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.84 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.068 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -49.18 74.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 60.32 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -65.86 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.905 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.26 -54.76 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 55.32 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.438 ' HA ' HD21 ' A' ' 56' ' ' LEU . 13.0 pt-20 -57.11 -33.33 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.16 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.32 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.13 -49.1 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.1 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.615 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.3 pp -67.17 -33.1 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -75.8 -51.0 13.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 71.52 110.915 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.38 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -8.04 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 122.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 65.1 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -18.98 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 52.35 110.849 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.5 170.22 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.99 28.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.923 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.03 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.917 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -32.22 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.898 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -69.33 -52.61 25.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -68.24 -27.75 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -70.37 -54.8 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.99 -43.15 79.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 64.33 110.905 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -59.51 -29.89 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.861 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 76' ' ' VAL . 42.5 mt-10 -78.0 -41.86 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 64.31 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -37.28 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 70.41 110.901 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.631 ' CG1' HD23 ' A' ' 24' ' ' LEU . 36.0 m -77.31 -36.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.131 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.77 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.11 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 77' ' ' MET . 12.7 p -76.16 -42.46 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.159 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 mmt -67.56 -52.66 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.872 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 25.9 ttt85 -59.24 -39.74 83.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.84 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -61.21 -46.41 90.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 63.52 110.903 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.17 -24.52 67.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 65.4 111.127 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.0 t80 -74.89 -46.39 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.938 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -78.96 -23.24 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 41.15 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -81.3 -41.8 21.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 54.54 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.59 -38.99 64.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 65.01 110.838 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.599 ' HB3' HD22 ' A' ' 34' ' ' LEU . 2.8 pttp -76.66 -25.67 53.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -53.0 -47.86 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.883 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.46 79.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.137 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.94 -45.54 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -77.08 -31.23 55.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 62.22 111.119 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.096 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.78 0.324 . . . . 75.53 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -149.18 -45.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.535 ' HA ' HG22 ' A' ' 11' ' ' THR . 3.1 m-20 -122.29 -27.41 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 63.51 110.851 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -27.99 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 63.12 110.841 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.84 -21.05 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.52 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.1 t -99.98 21.54 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.18 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.41 140.8 58.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.23 173.53 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.834 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -72.46 -22.27 61.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 54.01 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.25 59.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 51.42 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.15 -29.6 58.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.852 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -69.86 -51.27 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.35 110.853 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.3 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -75.46 -46.93 29.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.72 -47.7 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 54.14 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.39 -34.19 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 64.11 111.131 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -64.25 -45.08 89.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.94 -32.04 61.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.521 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 74' ' ' VAL . 55.1 mt -77.3 -39.87 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 72.54 110.883 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.28 -39.5 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 54.34 110.915 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -71.01 -39.5 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.933 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.3 t -75.85 -57.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.145 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.9 mt -50.5 -43.7 55.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 35.1 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -69.49 -30.74 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.86 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -49.14 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.65 HD12 ' CG2' ' A' ' 80' ' ' THR . 8.3 tt -76.29 -34.79 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.135 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 7.3 t-20 -69.83 -26.02 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.909 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.8 m -85.69 -30.49 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 65.35 111.08 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.21 -39.8 87.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 74.12 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -173.74 26.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.93 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.06 -3.72 61.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 74.45 112.489 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.51 -42.62 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 63.14 112.487 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.65 -61.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 61.23 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.4 p -67.97 -49.47 61.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 33.13 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -2.03 42.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 m -51.55 -59.47 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 55.11 111.136 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.97 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.23 111.067 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -45.39 36.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 64.52 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.87 -54.73 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -60.61 -30.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.158 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.2 -52.98 56.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.892 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.41 -30.74 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.31 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.8 m170 -70.0 -54.17 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.861 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.21 76.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -55.52 33.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.91 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.39 -46.24 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 44.35 110.859 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.71 -53.87 46.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.882 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -53.56 -45.6 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.897 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.98 70.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 51.4 111.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.71 -49.37 18.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 62.22 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.26 -31.95 70.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.883 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -75.64 -48.82 20.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.887 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.77 75.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -92.62 -2.34 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.89 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.73 120.45 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 60.32 110.845 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 m -87.73 -15.48 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.28 -174.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 64.11 110.828 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -63.62 -33.66 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 40.04 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -41.65 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.927 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.85 -31.93 73.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.6 -51.66 22.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -67.77 -40.59 84.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.894 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.64 -30.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 65.22 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -73.7 -50.56 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.857 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 74' ' ' VAL . 6.9 ptt? -69.04 -34.76 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.2 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.17 -27.53 64.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 76' ' ' VAL . 11.1 tt0 -78.21 -49.35 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.891 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.05 -37.74 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.576 HG12 HD23 ' A' ' 24' ' ' LEU . 31.6 m -76.86 -34.87 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.148 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.25 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.095 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 77' ' ' MET . 14.1 p -77.68 -41.35 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.151 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 4.6 mmt -67.76 -52.22 39.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.904 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -62.31 -35.38 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -62.52 -57.39 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.65 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.6 -24.14 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.121 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.56 -49.44 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.91 -23.4 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -79.95 -46.49 16.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.54 111.18 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -74.63 -25.96 59.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.23 110.888 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.03 -42.55 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.873 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.28 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.121 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.47 -52.02 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 85' ' ' LYS . 9.4 t -68.04 -26.88 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 62.12 111.107 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.4 111.086 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.752 0.31 . . . . 62.21 111.099 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 179.09 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.882 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.746 ' O ' HG22 ' A' ' 11' ' ' THR . 68.8 m-20 -51.1 -41.08 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 65.4 110.848 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -50.12 -27.1 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.926 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.94 -24.7 6.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 65.13 110.906 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 8' ' ' ASP . 7.7 t -101.42 -18.34 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.2 111.132 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 9' ' ' LYS . 6.7 mp -76.34 79.8 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 45.04 110.96 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -170.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.894 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.53 -22.33 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.32 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 73.43 111.102 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.29 -29.53 58.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -68.88 -50.68 47.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 71.25 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 45.43 111.104 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.59 -46.67 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.852 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -54.54 -51.74 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.1 -48.68 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.87 -48.26 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.47 96.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.466 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -66.15 -31.66 72.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 43.03 110.899 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -67.71 -52.33 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.08 -38.98 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.0 t -74.45 -59.38 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 61.34 111.099 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.35 -46.13 62.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.921 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.81 -30.07 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.31 110.906 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -51.52 66.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.0 tt -75.55 -34.72 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 73.02 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.653 ' HB3' HG23 ' A' ' 41' ' ' THR . 9.5 t-20 -69.63 -27.12 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.873 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.5 m -86.69 -30.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.115 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.4 tp -60.47 -39.68 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 63.54 110.89 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -172.78 26.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.26 5.64 49.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 71.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.39 -45.44 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.676 -0.773 . . . . 70.42 112.507 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.16 -61.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 72.32 110.858 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m -68.07 -49.32 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 53.12 110.849 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.52 -4.71 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 70.22 110.85 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.3 m -51.26 -39.03 55.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 52.22 111.106 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 62.12 111.125 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.65 -41.06 61.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.864 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -48.92 63.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -63.04 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.198 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.66 -51.87 44.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.869 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.51 -32.94 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.2 111.139 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 47' ' ' ILE . 15.0 m-70 -70.87 -54.11 12.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.86 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 61.33 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -53.27 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.861 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.65 -49.86 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 71.42 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -58.99 -51.93 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.54 -45.18 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 62.45 110.885 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 70.12 111.092 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.43 -48.64 21.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 72.14 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -70.52 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.921 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.71 -49.79 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.69 78.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -92.28 -2.17 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 123.05 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 53.4 110.829 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -99.86 -19.43 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.03 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.36 174.32 1.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 65.4 110.874 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -28.95 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -52.45 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.902 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -34.22 74.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.54 -55.72 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.935 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -49.25 78.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.19 -30.39 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -57.49 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.815 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.649 ' O ' HG22 ' A' ' 74' ' ' VAL . 3.8 ptt? -67.98 -43.21 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -59.2 -28.63 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 42.42 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -78.63 -49.81 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -38.58 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 70' ' ' MET . 30.7 m -76.82 -36.09 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.16 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.67 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 32.33 111.085 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 77' ' ' MET . 11.7 p -76.95 -41.71 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.129 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.8 mmt -67.97 -53.11 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.904 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 tmt_? -59.92 -39.35 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 75.01 110.845 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.24 -46.53 89.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.859 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -63.64 -24.59 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.146 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -74.13 -46.68 41.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -79.75 -23.25 42.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 m -80.46 -42.36 22.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 60.21 111.13 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -74.66 -36.2 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.499 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.16 -25.82 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.901 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.45 -45.42 80.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 54.21 110.891 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.54 69.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 60.21 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.04 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 70.34 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -56.71 -31.99 65.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.43 111.123 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 63.13 111.083 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.826 0.346 . . . . 72.43 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -179.82 -49.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.898 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.711 ' O ' HG22 ' A' ' 11' ' ' THR . 1.2 m-20 -72.12 -30.86 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.881 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -51.6 -26.56 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 72.23 110.908 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -24.03 35.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 44.02 110.866 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 8' ' ' ASP . 5.5 t -82.4 -24.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 50.31 111.124 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 9' ' ' LYS . 1.8 pp -114.08 110.66 20.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 55.24 110.915 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -170.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -58.42 -22.44 54.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.93 87.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 64.34 111.046 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -54.91 -28.58 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.862 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -65.13 -50.75 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.89 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.6 94.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.068 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.75 -46.43 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -53.93 -45.23 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.908 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.23 -36.66 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.32 111.142 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.38 -46.31 89.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.94 -29.36 69.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 43.51 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 46.1 mt -77.21 -40.1 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 75.15 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 45' ' ' ILE . 1.6 tp -67.2 -39.62 86.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.867 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -71.01 -39.29 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.13 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 74' ' ' VAL . 15.0 t -75.91 -56.9 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.2 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 45' ' ' ILE . 48.1 mt -50.76 -44.03 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.88 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -69.74 -29.62 67.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.87 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.883 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG23 ' A' ' 80' ' ' THR . 5.7 tp -77.11 -34.21 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.13 111.111 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.538 ' CB ' HD11 ' A' ' 45' ' ' ILE . 12.5 t-20 -70.47 -26.55 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.885 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.9 m -86.06 -30.9 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 54.14 111.118 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.5 26.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.25 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.07 4.82 52.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.12 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.57 -47.41 1.0 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 65.24 112.502 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 73.9 -62.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 63.44 110.847 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p -68.12 -49.17 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.86 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -82.73 2.13 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.917 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.2 m -57.91 -59.24 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.176 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.49 -37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.02 111.119 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -46.79 24.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -60.95 -54.31 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.714 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.6 mm -61.91 -30.59 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -62.34 -53.29 57.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.74 -35.15 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 64.33 111.131 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.3 m170 -65.04 -54.61 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.853 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.37 63.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -54.0 -50.93 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.83 -44.34 93.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.07 -54.54 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 64.41 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 10.8 tp10 -54.59 -45.79 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.856 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.12 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 54.34 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -48.8 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.6 pp -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 70.5 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -75.34 -49.2 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.898 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.05 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 63.22 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -93.49 -3.7 52.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.18 121.75 9.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -92.94 -20.04 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.851 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.62 168.28 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.853 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -29.47 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 64.12 110.895 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -36.72 55.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.925 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -31.36 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -73.2 -54.31 8.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.905 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -61.89 -37.12 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 61.4 110.897 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.73 -25.98 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 71.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -73.79 -49.8 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 51.33 110.858 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.603 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 ppp? -72.37 -41.94 65.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 74.55 110.927 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.87 -28.01 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.83 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 76' ' ' VAL . 50.1 tt0 -78.56 -49.12 13.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.918 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -37.99 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.917 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 70' ' ' MET . 34.4 m -77.2 -35.7 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 60.32 111.096 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.99 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 77' ' ' MET . 11.9 p -77.53 -42.7 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.41 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.474 ' O ' HG22 ' A' ' 80' ' ' THR . 30.2 mmt -66.87 -51.88 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.885 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.5 -34.99 77.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 70.24 110.879 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.45 -56.58 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.873 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -58.58 -24.09 60.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.54 111.174 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 3.7 t80 -71.23 -48.96 48.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 71.44 110.919 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -79.9 -23.0 42.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 m -79.57 -43.08 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.184 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.417 ' HB2' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -74.56 -38.15 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.908 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.562 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.15 -25.9 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.925 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.73 -44.46 81.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.11 79.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.4 111.12 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.35 -54.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 61.3 111.092 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -62.36 -30.86 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.124 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.111 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.754 0.311 . . . . 60.01 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -150.69 -44.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 52.22 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -114.15 -30.91 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.878 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -30.3 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.886 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.65 -23.8 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.05 110.884 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.38 11.7 22.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.42 111.148 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.4 141.38 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 61.44 110.958 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 170.65 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 62.02 110.873 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -72.57 -22.25 61.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.877 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.53 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.095 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.96 -29.88 57.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 63.22 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -67.5 -50.86 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.17 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.085 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -48.78 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -49.5 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.3 -49.91 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.2 -48.29 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.39 94.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 74' ' ' VAL . 41.9 mt -63.56 -38.84 92.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 73.52 110.927 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -62.42 -52.37 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.934 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -40.48 73.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.947 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG21 ' HB ' ' A' ' 74' ' ' VAL . 23.5 t -73.03 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.2 mm? -50.74 -48.21 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.51 110.959 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.0 ptt? -62.87 -29.92 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.887 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -53.48 53.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.12 -34.2 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.22 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.558 ' CB ' HD11 ' A' ' 45' ' ' ILE . 14.1 t-20 -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.857 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.0 m -80.78 -29.39 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.139 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD11 ' O ' ' A' ' 81' ' ' TYR . 63.6 mt -62.01 -47.54 84.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 73.31 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -162.94 19.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 60.32 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -83.0 -11.45 81.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 62.42 112.497 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.68 -42.2 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 72.42 112.484 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 74.5 110.862 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -68.09 -47.18 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.97 3.61 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.86 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 m -50.89 -57.12 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.125 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.09 -37.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.55 111.061 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.36 -43.68 32.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.547 ' HD3' HD22 ' A' ' 32' ' ' ASN . 10.0 mttm -62.97 -54.13 43.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.923 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mm -62.89 -30.42 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 71.35 111.137 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -63.23 -52.21 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.31 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -35.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.475 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -65.31 -54.44 29.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.856 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.93 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.52 -49.34 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -65.05 -44.29 89.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.01 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.04 -54.71 41.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.7 tt0 -55.49 -45.06 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 70.22 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.34 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.05 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.57 -48.98 20.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.117 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.7 pp -69.54 -32.18 70.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.33 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -75.62 -47.34 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.9 80.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 61.21 111.102 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -85.6 -11.16 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 120.84 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 51.1 110.888 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -92.55 -14.04 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.842 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 -169.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -69.19 -34.58 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -37.08 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.913 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -31.5 69.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -73.99 -53.17 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.959 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.22 98.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 63.11 110.834 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.56 -26.62 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -70.82 -53.87 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.655 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -69.75 -43.17 72.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.84 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.2 -28.47 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 74.44 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 tt0 -78.78 -49.06 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.826 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -59.47 -38.54 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.943 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.663 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -76.84 -36.5 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 61.34 111.124 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.35 111.107 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -75.3 -43.06 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.14 111.104 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.7 mmt -66.61 -52.39 45.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.906 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.7 ttt-85 -58.51 -41.43 85.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.843 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -59.55 -47.75 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -24.12 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 61.01 111.168 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -74.86 -46.95 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.917 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.47 -23.76 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.23 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -44.25 12.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.154 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 88' ' ' VAL . 46.7 mtt180 -65.71 -32.79 74.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.867 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.5 -26.35 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.902 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.9 -33.93 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 61.4 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -28.48 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 70.33 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 84' ' ' ARG . 94.6 t -71.36 -54.28 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.156 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 85' ' ' LYS . 6.5 t -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.137 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.087 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.625 HG23 ' NZ ' ' A' ' 9' ' ' LYS . 4.1 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 64.44 111.108 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.547 ' HG3' HG12 ' A' ' 6' ' ' VAL . 7.4 mt-30 -144.82 -45.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.883 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.747 ' O ' HG22 ' A' ' 11' ' ' THR . 3.1 m-20 -75.85 -55.09 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 43.24 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.71 ' HA ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -53.23 -26.96 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.33 110.908 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -22.88 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 54.14 110.895 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 8' ' ' ASP . 6.0 t -104.08 -16.61 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.198 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.71 HD13 ' HA ' ' A' ' 9' ' ' LYS . 6.1 mp -72.66 103.53 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.32 -169.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.852 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -55.82 -22.62 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.849 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -54.1 48.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.673 ' OE2' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.92 -29.43 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 60.13 110.897 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -71.2 -40.34 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.64 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.44 111.099 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -36.68 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 56' ' ' LEU . 2.0 t30 -65.67 -45.92 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 62.31 110.891 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.02 -42.03 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 64.31 111.114 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.54 -49.14 77.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.93 89.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 43.23 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -66.17 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 54.32 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 HD12 ' CG2' ' A' ' 45' ' ' ILE . 7.0 tp -66.1 -38.01 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.936 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.56 -42.45 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.547 HG21 ' HB ' ' A' ' 74' ' ' VAL . 24.1 t -74.31 -56.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.01 111.097 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 45' ' ' ILE . 81.7 mt -49.92 -46.8 52.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.57 -29.07 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 42.15 110.856 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -50.34 73.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.854 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 81' ' ' TYR . 5.8 tp -76.33 -34.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.643 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.8 t-20 -70.59 -26.58 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 70.54 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 m -86.0 -30.65 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.13 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.1 tp -59.96 -39.23 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.2 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -174.32 26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.85 -1.91 59.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.473 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.88 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 52.23 112.487 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.53 -61.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 70.54 110.848 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -68.12 -49.52 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 45.35 110.842 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.9 -2.18 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 45' ' ' ILE . 47.6 m -51.24 -59.19 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 54.42 111.143 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.47 -38.14 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.05 111.075 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -44.04 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.821 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -63.87 -54.92 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.882 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.643 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -60.7 -30.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.03 111.119 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.81 -52.37 57.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.853 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.85 -29.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.7 m170 -71.41 -54.17 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.832 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.16 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 34.34 111.093 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -64.82 -49.88 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.871 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -64.35 -48.24 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.03 110.864 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.84 -54.73 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.01 -45.92 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.13 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.43 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.71 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -69.7 -31.9 70.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.907 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -75.37 -48.56 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.73 -36.15 80.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 64.01 111.093 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -89.29 -7.98 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.833 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 122.06 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.851 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -98.6 -18.29 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 61.32 110.901 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.52 168.97 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 72.12 110.84 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -51.35 -32.99 27.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 75.1 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -34.25 57.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.922 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -33.44 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.874 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -72.74 -53.54 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.917 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.33 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.898 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -70.19 -25.74 63.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 m -73.51 -50.48 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.32 110.819 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.3 -42.13 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 55.52 110.879 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 73.21 110.902 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.3 tp10 -78.52 -38.26 41.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.912 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -38.09 74.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.87 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 70' ' ' MET . 27.1 m -77.65 -35.87 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 64.42 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.1 91.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.5 p -77.15 -42.46 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.156 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.495 ' O ' HG22 ' A' ' 80' ' ' THR . 31.3 mmt -67.55 -52.46 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.851 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.57 -34.84 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.914 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.34 -57.4 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.847 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -56.88 -23.76 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.134 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.424 ' HA ' HD13 ' A' ' 31' ' ' ILE . 4.8 t80 -72.97 -48.72 34.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -77.72 -23.32 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 54.14 110.884 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.64 -43.58 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.32 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.3 mtt180 -71.34 -40.16 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.846 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.8 pttp -75.59 -25.69 57.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.915 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -51.75 -48.5 63.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.918 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.89 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.3 111.097 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.62 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.3 t -62.14 -29.99 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.131 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.12 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 65.13 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.63 -42.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 11' ' ' THR . 55.3 m-20 -126.54 -35.0 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.862 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -27.89 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -27.49 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 63.21 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 8' ' ' ASP . 10.8 t -93.81 19.92 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.138 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.587 HD13 ' OE2' ' A' ' 16' ' ' GLU . 32.0 mt -79.08 141.11 37.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 55.23 110.914 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.99 -170.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 61.55 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -76.3 -21.92 55.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 75.31 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.587 ' OE2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -54.85 -29.81 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.87 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -72.16 -40.65 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.152 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.22 -38.42 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -62.82 -48.84 77.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.23 110.837 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.01 -44.38 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 70.01 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -56.32 -47.26 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 62.53 110.859 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.26 93.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.523 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 74' ' ' VAL . 28.1 mt -66.49 -31.72 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 73.31 110.925 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.598 HD12 ' CG2' ' A' ' 45' ' ' ILE . 1.8 tp -67.26 -55.57 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.875 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.92 -39.37 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.497 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.4 t -73.19 -60.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.135 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 45' ' ' ILE . 83.0 mt -51.62 -47.97 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 61.43 110.943 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -63.1 -29.7 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -53.37 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 74.04 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 ' OG1' ' A' ' 80' ' ' THR . 15.4 tt -75.53 -34.57 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.128 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.623 HD22 ' HD3' ' A' ' 44' ' ' LYS . 11.8 t-20 -64.05 -24.4 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.864 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.4 m -80.62 -29.86 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.15 111.141 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 81' ' ' TYR . 38.5 mt -61.01 -47.27 87.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -164.65 20.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.31 110.898 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -92.92 -1.97 67.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 71.33 112.479 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.59 -48.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 71.42 112.482 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 41' ' ' THR . 1.1 m 74.5 -61.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 52.51 110.823 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.0 p -78.59 -42.98 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.03 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.65 8.2 15.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.891 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.549 HG23 ' CA ' ' A' ' 38' ' ' SER . 18.6 p -49.41 -64.47 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.55 111.11 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.72 -34.59 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.12 111.115 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -74.35 -51.83 13.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.623 ' HD3' HD22 ' A' ' 32' ' ' ASN . 13.2 mttp -62.71 -54.0 45.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.598 ' CG2' HD12 ' A' ' 25' ' ' LEU . 4.6 mm -57.97 -30.25 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.01 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -66.29 -53.33 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -76.09 -28.45 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.116 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.2 m170 -73.36 -54.88 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.96 96.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.73 -52.2 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 65.03 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.43 -49.75 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 70.53 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -54.12 -52.35 61.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.843 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.4 tm-20 -53.25 -45.51 68.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.902 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.07 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 61.5 111.131 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.54 -49.94 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 54.5 111.083 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.2 pp -68.38 -38.78 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -68.59 -40.06 80.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.04 61.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -2.1 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -67.77 -72.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.13 15.72 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 61.04 110.845 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.62 141.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 64.35 110.846 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.37 74.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -34.01 58.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.51 -31.71 65.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.908 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -51.86 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.935 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -60.55 -38.62 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.879 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.89 -29.43 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -69.86 -56.42 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.873 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.633 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -65.2 -37.28 86.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.829 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 71.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -78.47 -37.04 44.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 73.03 110.878 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -71.36 -38.44 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 70' ' ' MET . 27.6 m -77.25 -36.32 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.115 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 77' ' ' MET . 13.0 p -76.43 -41.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.11 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.454 ' N ' HG13 ' A' ' 76' ' ' VAL . 20.4 mmt -68.55 -53.21 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -59.01 -41.38 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 62.24 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.52 -52.51 65.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.541 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.4 p -57.95 -24.98 60.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 70.42 111.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -75.15 -38.65 60.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.956 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.6 -22.78 60.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.867 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.1 mtt180 -65.32 -50.86 64.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 61.1 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -52.11 -31.27 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.98 -34.69 59.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.62 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.085 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.3 t -71.24 -30.2 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.115 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -26.13 64.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.54 111.113 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 64.21 111.121 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 72.34 111.13 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -150.53 -44.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.933 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -114.15 -30.73 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.865 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.06 44.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 -23.58 57.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.876 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -92.16 11.89 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.13 111.185 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.5 mt -59.52 139.56 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.99 177.29 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.83 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -76.49 -22.28 54.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 70.12 110.917 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.51 111.113 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.14 -29.67 58.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -68.86 -50.87 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 60.44 111.115 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -72.13 -46.56 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 56' ' ' LEU . 33.8 t30 -54.6 -51.98 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.81 -41.45 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.163 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.67 -45.51 91.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.68 63.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 74' ' ' VAL . 36.4 mt -65.96 -41.46 91.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 71.51 110.883 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -50.83 69.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.919 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -56.41 -40.05 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.951 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 74' ' ' VAL . 39.3 t -74.72 -59.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' A' ' 45' ' ' ILE . 9.8 mp -50.46 -44.81 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 63.33 110.934 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -67.23 -29.81 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -49.67 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 73.32 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.7 tt -75.1 -34.79 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.14 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.622 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.32 -25.92 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.899 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 m -85.36 -30.61 23.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.14 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.0 tp -59.68 -39.72 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.953 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -174.21 26.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.51 -3.06 61.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 74.24 112.472 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.52 -44.41 1.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.727 . . . . 63.12 112.48 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 74.35 -61.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 54.42 110.889 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -67.97 -49.75 59.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 65.52 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.79 -1.04 45.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.3 110.865 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.7 m -54.43 -58.91 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 42.42 111.137 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.06 -38.04 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 31.2 111.066 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -44.98 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.859 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -54.52 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.831 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.8 mm -62.1 -30.19 48.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 54.01 111.134 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.01 -52.88 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' N ' HD12 ' A' ' 47' ' ' ILE . 22.0 m170 -66.75 -53.68 30.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 51.31 110.821 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.46 -51.28 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.056 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -55.2 -51.85 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.12 110.898 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.62 -28.65 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.14 -54.78 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.455 ' HA ' HD21 ' A' ' 56' ' ' LEU . 12.5 pt-20 -56.12 -33.87 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 70.24 110.938 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.05 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 51.21 111.115 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.33 -49.19 15.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -67.03 -33.31 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 62.42 110.951 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -75.52 -50.33 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 70.44 110.86 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -32.26 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 42.14 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -95.64 -2.89 47.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.38 121.5 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.861 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.96 -20.11 27.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.848 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 170.08 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 55.52 110.862 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.46 -32.21 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.3 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -34.35 55.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.24 110.849 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.81 -31.37 61.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 63.21 110.883 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -70.19 -53.79 15.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.901 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.5 ptm -64.28 -42.61 96.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.922 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.54 -26.75 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 71.04 110.829 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -51.66 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 62.03 110.852 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' VAL . 6.5 ptt? -71.28 -42.36 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.882 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.37 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 61.5 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.6 tm-20 -78.74 -37.03 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.855 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -71.77 -37.85 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 53.44 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.757 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -77.09 -37.09 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.093 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.37 88.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.32 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLU . 14.5 p -77.18 -42.66 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.42 111.115 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 22.9 mmm -66.34 -52.89 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.864 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.23 -56.67 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.571 ' CG2' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -58.66 -23.98 60.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.129 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 4.4 t80 -71.34 -50.2 34.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.57 -23.39 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -49.01 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -41.01 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.6 pttp -71.44 -25.86 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.54 -39.9 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.888 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.01 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.136 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.65 -49.34 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 42.12 111.108 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.4 t -69.35 -25.34 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.095 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.068 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 65.42 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -179.76 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 70.42 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.741 ' O ' HG22 ' A' ' 11' ' ' THR . 92.3 m-20 -71.68 -31.95 67.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.908 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.735 ' HA ' HD13 ' A' ' 12' ' ' LEU . 1.8 mmmp? -51.4 -26.43 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 60.22 110.889 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.73 -24.98 24.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 65.13 110.867 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 8' ' ' ASP . 5.8 t -96.07 -16.47 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 62.35 111.146 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 9' ' ' LYS . 7.2 mp -81.04 81.82 7.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 64.52 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -170.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 70.53 110.863 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -61.49 -22.91 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 43.02 111.093 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.67 -29.38 59.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.882 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -67.04 -50.63 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -73.79 -49.52 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.26 -51.3 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.916 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.79 -34.12 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.13 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -64.11 -45.29 89.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.84 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 71.51 112.495 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 74' ' ' VAL . 62.1 mt -77.74 -35.44 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 63.22 110.86 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 45' ' ' ILE . 8.8 tp -67.91 -43.33 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' NE2' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -70.98 -36.07 72.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.94 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.692 HG21 ' HB ' ' A' ' 74' ' ' VAL . 4.4 t -76.37 -59.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.42 111.144 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 45' ' ' ILE . 94.4 mt -50.43 -43.23 54.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -69.02 -31.3 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.919 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -48.39 81.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.835 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.649 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.8 tt -76.15 -34.85 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.168 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.96 -25.66 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 60.34 110.884 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -85.43 -30.31 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.149 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.67 -40.54 92.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.917 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.22 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 61.1 110.897 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.78 -7.57 66.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 65.45 112.552 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.13 -38.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 65.12 112.537 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.76 -60.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 71.54 110.854 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 t -66.94 -46.73 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.879 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -83.08 3.84 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.923 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.2 m -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 70.24 111.137 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.27 -36.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.14 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -46.59 32.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -54.23 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 71.14 110.864 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.673 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -59.58 -30.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.15 111.156 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -53.41 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.847 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.99 -29.86 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.131 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.6 m170 -71.75 -55.02 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.832 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.84 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 31.21 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -52.78 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.902 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.01 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 63.25 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.8 -51.29 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.834 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -53.55 -45.1 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 75.41 110.905 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.02 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 71.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.56 -49.08 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.099 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.37 -33.91 73.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.884 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -73.99 -41.2 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 70.23 110.885 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.56 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 52.33 111.083 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -91.42 -1.87 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.908 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -72.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.846 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.36 12.8 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 51.55 110.852 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -177.78 159.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 64.45 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -32.64 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.919 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.48 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 52.11 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.78 -31.19 59.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.3 -53.83 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 70.2 110.928 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -25.71 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 64.24 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.54 -33.02 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -75.22 -42.11 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.52 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -73.21 -38.43 66.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.934 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.83 -27.39 64.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.89 -49.98 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -38.04 79.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.692 ' HB ' HG21 ' A' ' 27' ' ' VAL . 32.4 m -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.131 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.27 82.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 53.53 111.098 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 77' ' ' MET . 14.5 p -77.42 -41.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.51 111.15 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 14.7 mmt -67.94 -52.18 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.906 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 27' ' ' VAL . 38.5 ttt180 -62.24 -35.35 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.894 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.79 -57.4 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.649 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.4 t -57.42 -23.96 52.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 63.44 111.162 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.03 -49.42 36.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 73.13 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.78 -23.2 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 -46.13 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 50.12 111.15 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -70.01 -38.29 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.601 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.81 -25.87 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.92 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.8 -41.45 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.32 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.136 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.01 -61.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 61.33 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.7 t -55.38 -31.32 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.119 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.101 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.759 0.314 . . . . 64.51 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 11' ' ' THR . 5.1 pt20 -125.82 -6.63 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 54.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.458 ' HA ' HG22 ' A' ' 11' ' ' THR . 6.6 m-20 -96.12 -24.38 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.41 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -26.37 41.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.53 110.844 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.09 -21.89 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.869 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 8' ' ' ASP . 14.9 t -107.24 26.32 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 70.22 111.154 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.83 155.36 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.22 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 168.45 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 52.44 110.844 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.39 -22.32 63.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 54.23 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -53.73 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 40.53 111.091 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -55.16 -29.53 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.04 110.859 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -70.26 -50.89 35.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.34 77.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.22 111.102 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -47.59 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -54.84 -52.64 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 50.41 110.892 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.39 -43.62 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -57.83 -46.59 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 61.13 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.57 94.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 55.42 112.529 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.3 mt -69.69 -35.49 75.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 73.32 110.881 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 45' ' ' ILE . 4.1 tp -66.27 -38.64 88.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -70.52 -41.12 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG21 ' HB ' ' A' ' 74' ' ' VAL . 30.1 t -75.39 -57.0 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 54.43 111.088 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.3 mt -49.62 -45.1 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.55 110.968 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -69.46 -29.48 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.825 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.06 75.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.664 HD12 ' CG2' ' A' ' 80' ' ' THR . 9.6 tt -75.45 -34.63 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.165 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.88 -25.84 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.908 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -85.54 -30.18 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.134 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.68 -40.77 93.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -171.72 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.916 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.8 -7.32 66.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 71.34 112.451 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.29 -38.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 54.12 112.51 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.73 -60.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 51.12 110.875 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -47.16 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 70.23 110.9 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -83.09 3.84 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 32' ' ' ASN . 58.9 m -59.69 -61.47 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 71.54 111.148 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.34 -36.96 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.01 111.114 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -75.67 -46.03 33.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.875 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -54.44 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 52.14 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 25' ' ' LEU . 4.7 mm -59.88 -30.6 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.51 111.143 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -64.93 -54.11 35.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.864 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.31 -30.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' ILE . 11.5 m-70 -70.39 -53.6 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.29 97.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.052 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -53.42 39.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.88 -48.97 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 55.52 110.841 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -53.35 -52.4 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.1 tm-20 -53.48 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.873 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.49 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 -49.0 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.094 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.59 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -75.63 -47.85 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 52.53 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -38.08 83.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.119 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -86.21 -10.05 55.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 121.97 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.852 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -93.71 -18.28 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.858 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.36 169.54 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.824 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.52 -33.06 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.51 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.952 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -36.45 63.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 51.22 110.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.1 -52.41 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.928 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -39.5 94.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.834 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.81 -25.89 63.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.833 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 -51.33 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.839 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.612 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -71.3 -41.54 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 72.33 110.892 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.41 -28.14 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.887 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -60.53 -38.29 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.637 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.2 m -76.58 -35.94 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.13 111.104 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.89 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 77' ' ' MET . 14.6 p -77.3 -41.54 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 80' ' ' THR . 11.9 mmt -67.41 -50.85 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -62.85 -35.91 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.86 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.42 -57.05 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.664 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.68 -24.36 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.52 111.118 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.63 -47.99 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -79.19 -23.09 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 53.03 110.911 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -79.42 -45.16 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.093 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -72.11 -40.64 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.2 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.632 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.59 -25.73 63.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.915 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.94 96.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.83 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.7 72.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.102 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.57 -58.44 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.106 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 t -58.79 -30.28 67.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.115 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 70.41 111.086 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.753 HG12 ' HG3' ' A' ' 7' ' ' GLN . 14.8 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.803 0.335 . . . . 74.11 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.753 ' HG3' HG12 ' A' ' 6' ' ' VAL . 38.0 mt-30 -145.87 -45.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.887 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' HA ' HG22 ' A' ' 11' ' ' THR . 2.3 m-20 -120.78 -28.48 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 62.21 110.849 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -27.7 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 55.13 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 -22.6 32.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.875 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.7 t -102.45 23.78 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 74.23 111.098 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.25 147.01 54.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 71.3 110.92 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p -100.26 172.96 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 54.14 110.814 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -74.8 -22.17 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.51 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.55 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.32 111.103 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.0 -29.92 58.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -68.64 -51.14 45.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 62.21 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.92 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.3 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.857 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.44 -51.49 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.874 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.9 t -68.9 -44.08 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.88 -42.06 79.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.21 50.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.47 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD23 ' CG1' ' A' ' 74' ' ' VAL . 38.8 mt -65.62 -39.74 91.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.86 0.362 . . . . 74.25 110.932 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 45' ' ' ILE . 4.2 tp -68.59 -54.41 16.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.13 110.879 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -56.66 -37.6 71.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 74' ' ' VAL . 14.5 t -76.3 -59.48 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 24' ' ' LEU . 18.9 mt -52.19 -38.37 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 65.04 110.942 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -76.2 -25.45 55.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.5 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -49.66 68.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.905 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.521 HD12 HD23 ' A' ' 34' ' ' LEU . 6.2 tp -75.32 -34.12 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.32 111.122 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 m -86.79 -31.57 20.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 63.14 111.174 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -52.23 -40.29 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.913 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -175.92 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.42 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.23 -22.0 74.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 60.15 112.53 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.96 21.58 79.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 73.23 112.528 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -127.52 87.63 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 74.32 110.817 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 p -55.99 -22.78 28.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 71.53 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.09 12.12 6.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.839 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.51 -46.93 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.173 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.09 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 63.53 111.108 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.02 -46.63 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -54.43 45.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 25' ' ' LEU . 5.4 mm -62.23 -30.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.158 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -61.86 -53.18 59.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.877 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.9 -34.87 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 47' ' ' ILE . 12.9 m-70 -65.52 -53.34 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.871 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.73 85.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.51 -55.44 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.6 -36.27 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.29 -50.1 61.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.9 tm-20 -53.52 -45.96 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.46 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 63.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.97 -48.98 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 53' ' ' GLU . 2.8 pp -69.47 -31.97 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.02 110.896 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.24 -46.74 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.27 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.33 111.094 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -88.33 -9.86 51.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.92 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.71 121.09 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.835 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -22.72 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 53.54 110.87 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 172.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -51.83 -30.4 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.881 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -36.53 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.26 -30.99 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.89 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -71.2 -55.18 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 73.4 110.906 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -62.07 -42.2 98.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.866 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.99 -28.58 69.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.846 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -71.11 -55.46 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.893 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -68.09 -43.1 79.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 63.42 110.918 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 62.0 t30 -60.29 -28.51 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.863 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -77.91 -49.99 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.841 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -38.84 80.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 70' ' ' MET . 35.0 m -77.42 -34.51 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' ASN . . . -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 65.14 111.074 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 77' ' ' MET . 9.5 p -76.63 -43.62 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.41 111.131 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' THR . 21.0 mmt -65.37 -52.61 52.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.869 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.61 -33.71 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.67 -57.21 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 60.11 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 77' ' ' MET . 9.0 t -58.08 -23.83 56.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.092 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.525 ' O ' HD22 ' A' ' 34' ' ' LEU . 6.1 t80 -72.03 -50.05 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.23 110.931 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -72.29 -23.91 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.916 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -46.7 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 71.32 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.3 mtt85 -65.29 -33.54 76.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.838 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -80.21 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.71 -26.08 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.833 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -33.35 19.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.109 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.7 t -71.73 -30.28 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.05 111.128 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -30.05 64.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.41 111.193 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.107 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 73.14 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -151.06 -44.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 61.42 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -114.28 -30.86 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.41 110.889 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -27.92 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -78.05 -24.8 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 64.2 110.848 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 t -87.67 7.5 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.2 111.168 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.61 156.78 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.1 m -100.02 164.33 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.874 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.65 -22.77 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 52.2 110.894 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.19 85.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.25 111.084 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.75 -30.07 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.961 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -62.37 -50.66 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 71.2 110.859 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.07 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.062 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -48.05 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -53.65 -53.2 55.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.72 -37.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 62.51 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -58.4 -47.43 83.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 34.52 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -32.45 81.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.772 -0.727 . . . . 60.22 112.525 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 HG12 ' A' ' 74' ' ' VAL . 77.7 mt -77.24 -33.86 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 64.44 110.954 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.75 -42.95 80.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.869 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -36.38 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 74' ' ' VAL . 16.2 t -75.92 -58.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.11 111.127 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 45' ' ' ILE . 44.6 mt -51.26 -45.08 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 61.03 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -66.67 -31.8 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.883 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 80' ' ' THR . 6.6 tt -77.01 -34.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 52.52 111.134 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.637 ' CB ' HD11 ' A' ' 45' ' ' ILE . 9.2 t-20 -69.38 -25.95 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.902 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -85.56 -30.46 23.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 45.5 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -60.28 -39.33 86.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.877 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -174.42 26.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -105.08 7.23 43.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.497 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.79 -50.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.491 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 65.03 110.831 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 t -66.75 -48.4 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.55 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 3.69 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 61.4 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 45' ' ' ILE . 24.7 m -50.93 -57.4 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 64.33 111.138 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.38 -37.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.087 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.47 -45.74 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.885 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -61.36 -54.5 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.637 HD11 ' CB ' ' A' ' 32' ' ' ASN . 4.8 mm -61.89 -30.51 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.21 111.155 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.41 -52.88 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.882 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.56 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.34 111.121 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' ILE . 21.4 m170 -65.72 -53.8 35.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.831 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.2 -52.34 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 35.11 111.071 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.77 -48.69 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.05 -40.38 82.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.53 -55.46 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -46.54 82.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.842 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -30.05 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.2 -49.72 18.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 43.33 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 70' ' ' MET . 1.5 pp -70.3 -31.38 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.934 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.54 -51.64 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.838 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.74 74.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 60.32 111.072 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -94.91 -3.59 48.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.25 123.39 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.22 110.844 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -90.13 -22.86 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 62.12 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.51 172.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 53.4 110.896 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -51.95 -29.95 22.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.874 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -36.99 56.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.892 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -34.77 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 73.41 110.921 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -67.11 -54.64 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.919 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -33.26 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.887 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -61.92 -50.4 72.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.867 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.4 m -62.94 -40.04 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.909 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 24' ' ' LEU . 57.4 mmm -65.43 -53.52 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 62.34 110.837 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.51 -25.82 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.898 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.62 -55.3 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 62.15 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.78 -37.59 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.9 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 24' ' ' LEU . 21.8 m -77.54 -35.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.141 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.18 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.2 111.085 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 77' ' ' MET . 14.4 p -76.58 -40.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.148 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.44 ' HG3' HD23 ' A' ' 28' ' ' LEU . 20.3 mmt -71.5 -53.45 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.86 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -58.33 -41.04 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 64.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.01 -52.71 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.865 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.2 p -55.4 -25.88 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.179 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -75.47 -45.43 38.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 52.24 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -76.26 -23.5 54.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.63 -45.73 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 75.52 111.141 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.409 ' CB ' HD21 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -68.96 -32.41 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.825 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -81.33 -25.81 36.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.888 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.0 t-20 -57.74 -39.14 76.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 70.3 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -38.08 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.096 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.64 -46.38 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.132 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.0 t -74.31 -28.89 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.122 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 63.51 111.105 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 7' ' ' GLN . 11.5 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.799 0.333 . . . . 53.51 111.107 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.712 ' HG2' HG12 ' A' ' 6' ' ' VAL . 11.9 pt20 179.36 -33.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.897 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.531 ' HA ' HG22 ' A' ' 11' ' ' THR . 54.0 m-20 -88.4 -26.91 21.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.851 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' HZ2' ' N ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -78.36 -25.33 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 62.22 110.917 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -22.77 24.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.8 t -103.92 26.74 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.104 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.49 152.02 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.9 173.22 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -72.07 -22.34 61.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.44 110.902 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.84 52.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.52 111.1 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.1 -29.62 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -70.13 -51.0 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.824 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.38 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.075 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -46.58 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.927 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -54.59 -48.86 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 71.04 110.913 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.08 -34.54 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.104 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -64.06 -44.31 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.96 -31.92 61.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.5 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 56.6 mt -77.59 -39.92 43.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.42 110.9 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.0 -40.76 87.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.05 110.956 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -70.57 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.929 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG21 ' HB ' ' A' ' 74' ' ' VAL . 12.3 t -74.55 -57.99 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 45' ' ' ILE . 84.6 mt -49.82 -47.57 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -65.96 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.86 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -53.81 53.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 53.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.3 tt -77.04 -34.66 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.137 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.62 HD22 ' HD3' ' A' ' 44' ' ' LYS . 15.4 t-20 -64.12 -23.51 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.901 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 m -80.77 -29.26 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 81' ' ' TYR . 58.4 mt -62.09 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.935 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -162.49 19.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.836 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -85.49 -8.76 80.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.23 112.493 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.36 -43.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.75 . . . . 61.12 112.523 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 44.32 110.893 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -68.54 -46.66 68.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 54.43 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.78 2.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.852 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -50.47 -57.47 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.29 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.42 111.058 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -45.51 26.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.871 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HD3' HD22 ' A' ' 32' ' ' ASN . 12.1 mttm -61.73 -54.4 43.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.87 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 25' ' ' LEU . 5.0 mm -62.34 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.64 -52.69 62.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.854 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.95 -35.36 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.461 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.1 m170 -64.87 -54.19 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.857 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.24 61.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -53.92 -53.73 48.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.892 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -59.84 -44.23 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.14 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -53.52 -45.55 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.888 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 64.22 111.119 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.32 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 54.11 111.085 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.45 -31.87 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.915 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -75.8 -47.28 26.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.882 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.82 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 65.43 111.126 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -86.99 -8.6 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.52 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 121.12 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 62.31 110.843 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -93.38 -16.84 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 62.22 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 168.51 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.88 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.44 -34.16 33.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 75.1 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.86 57.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.884 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -73.64 -35.51 65.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 74.23 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -65.79 -51.92 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.932 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -41.32 89.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.27 -30.2 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.84 -52.17 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.815 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.0 ptt? -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.864 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -68.56 -27.5 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 53.14 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.33 -50.04 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.52 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.85 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.04 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.556 HG12 HD23 ' A' ' 24' ' ' LEU . 33.3 m -77.25 -36.3 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.79 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.088 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.17 -42.66 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.119 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.1 mmt -67.38 -52.63 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.895 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 tmt_? -59.2 -40.81 86.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.867 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -59.86 -49.37 77.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -61.15 -24.39 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.53 111.069 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.468 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.36 -47.35 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 75.25 110.924 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 64.31 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -44.7 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 70.21 111.093 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.1 mtt-85 -67.01 -33.51 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.838 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.21 -25.85 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 70.31 110.87 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.99 -33.12 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 54.35 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.9 -30.8 21.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.13 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' ARG . 78.5 t -67.43 -47.84 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.138 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 85' ' ' LYS . 4.6 t -69.76 -27.54 65.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 62.32 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 61.41 111.054 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.722 0.296 . . . . 75.22 111.091 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -149.4 -45.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.9 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.51 ' HA ' HG22 ' A' ' 11' ' ' THR . 5.6 m-20 -122.22 -27.36 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 64.12 110.898 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -28.02 46.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.25 110.848 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -85.63 -20.28 29.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 70.4 110.875 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.5 t -107.13 24.65 12.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 73.11 111.162 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.53 142.64 56.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 55.13 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.11 173.26 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.839 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.05 -22.25 58.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.01 110.87 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.12 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 62.42 111.102 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -55.06 -29.6 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.913 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.52 -50.99 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.884 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.95 85.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.092 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -44.43 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 62.31 110.919 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.56 -48.97 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.82 -39.03 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.108 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.884 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.88 81.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 71.33 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 74' ' ' VAL . 68.3 mt -68.1 -37.0 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 75.22 110.891 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -65.62 -53.48 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.92 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.96 -37.41 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 63.4 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.704 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.5 t -74.67 -60.34 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.53 111.126 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 45' ' ' ILE . 1.4 mm? -52.48 -45.46 66.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.928 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -64.53 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.31 110.86 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -48.62 77.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 75.35 110.849 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 14.4 tt -76.03 -34.85 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.14 111.112 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.679 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER -71.32 -26.11 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.887 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 m -85.74 -29.89 23.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 71.54 111.191 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.4 tp -60.95 -40.52 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -171.81 26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.64 -2.39 61.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.489 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.48 -42.93 1.27 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 63.41 112.471 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 71.32 110.838 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -67.12 -50.5 61.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.866 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.26 -6.04 59.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 71.43 110.849 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 32' ' ' ASN . 20.4 m -48.03 -60.07 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.133 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.47 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -44.16 82.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.82 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -45.81 90.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 63.13 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.628 HG22 HD12 ' A' ' 25' ' ' LEU . 3.3 mm -62.7 -29.97 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 61.02 111.115 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -68.59 -51.15 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.5 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.97 -27.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.168 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -75.76 -55.19 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.888 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.15 77.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.075 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.05 -49.02 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.54 110.945 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.05 110.874 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -55.85 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 70.32 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.33 -46.88 69.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.93 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.22 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.51 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 62.34 111.097 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 66' ' ' TYR . 1.1 pp -70.33 -31.57 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 55.2 110.954 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.37 -49.63 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 -34.23 77.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 44.31 111.091 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -91.1 -6.55 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.13 110.944 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.82 121.87 10.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 73.44 110.851 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.1 m -91.47 -19.12 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 54.14 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.2 170.68 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 62.23 110.838 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -51.62 -32.85 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.952 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -34.56 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.902 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.888 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' HD12 ' A' ' 56' ' ' LEU . 67.1 t80 -69.41 -52.68 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.5 110.92 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptm -64.32 -39.3 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.13 -31.03 71.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.881 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -71.35 -49.77 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.889 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . 9.1 ptm -70.78 -42.39 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.53 110.874 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -60.92 -31.23 70.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 70.12 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.0 tt0 -78.29 -37.64 44.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 51.43 110.879 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -37.82 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.704 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.8 m -77.69 -36.42 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 70.55 111.159 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.94 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.127 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 11.4 p -75.29 -42.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 28.7 mmt -68.19 -53.54 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.9 tmt_? -57.83 -39.68 78.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.878 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.76 -48.83 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -24.96 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 60.12 111.129 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.408 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.9 t80 -75.36 -47.39 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.883 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.22 -23.22 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 53.21 110.898 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.34 -44.34 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.12 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -69.5 -36.36 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.851 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.553 ' HB3' HD22 ' A' ' 34' ' ' LEU . 4.1 pttp -79.57 -25.92 41.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.63 -41.14 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.46 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.074 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.2 -50.3 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.117 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.9 t -69.68 -29.4 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.174 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.114 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.732 0.301 . . . . 75.25 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -150.12 -45.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 72.04 110.915 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.691 ' O ' HG22 ' A' ' 11' ' ' THR . 71.5 m-20 -114.71 -30.06 6.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 42.4 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -27.38 40.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.877 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -56.58 -27.24 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.846 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 8' ' ' ASP . 5.4 t -70.6 -15.54 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 64.55 111.141 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD22 ' CD ' ' A' ' 16' ' ' GLU . 43.6 mt -54.45 135.23 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 52.22 110.95 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.32 -175.59 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.873 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.81 -22.26 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.61 55.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' CD ' HD22 ' A' ' 12' ' ' LEU . 19.8 mt-10 -54.93 -29.74 57.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.916 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -69.15 -50.92 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.32 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.34 83.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 12.54 111.092 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -73.22 -47.13 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.894 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 56' ' ' LEU . 27.3 t30 -54.52 -52.36 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.18 -40.47 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 71.13 111.115 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 -39.16 57.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 61.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' CG1' ' A' ' 74' ' ' VAL . 53.4 mt -68.42 -40.68 81.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 71.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.37 -53.36 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.931 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.3 -38.45 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.906 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG21 ' HB ' ' A' ' 74' ' ' VAL . 11.0 t -75.34 -59.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.22 111.19 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 24' ' ' LEU . 16.9 mt -51.98 -41.14 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -73.64 -25.31 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 44.02 110.894 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -49.5 69.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.914 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.518 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.9 tt -73.99 -34.59 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.15 111.167 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -31.52 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.892 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -86.98 -31.57 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 75.33 111.128 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.4 tp -53.48 -40.13 65.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -175.39 25.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.92 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.61 -22.8 75.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 64.41 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.09 25.49 68.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 70.22 112.476 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.74 88.93 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 63.42 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 p -55.78 -29.39 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.11 110.826 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.17 11.94 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 45' ' ' ILE . 1.8 t -45.96 -49.07 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 71.54 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 41' ' ' THR . . . -44.13 -35.14 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 62.01 111.093 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.0 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 62.35 110.868 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -63.92 -33.89 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 41' ' ' THR . 17.4 mm -77.08 -31.89 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.09 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -66.31 -45.25 80.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.42 -34.06 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.101 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -73.11 -53.85 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.866 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.67 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.115 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -64.06 -55.91 18.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 73.24 110.912 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -59.01 -37.18 76.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.76 -49.59 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.9 tm-20 -53.18 -42.74 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.15 110.909 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -29.76 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.78 -48.86 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 55.23 111.075 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 57' ' ' PHE . 3.1 pp -67.91 -39.42 83.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.564 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.7 t80 -66.74 -44.09 82.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.841 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.08 66.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -83.63 -2.04 55.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 64.31 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -62.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 44.24 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.06 18.8 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.833 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -163.71 138.05 5.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.845 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -35.8 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 74.55 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.66 57.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.4 110.898 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.94 -31.26 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.07 -54.65 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 54.15 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.48 -27.91 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 54.43 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -53.2 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.876 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.6 ptt? -69.7 -43.74 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 71.34 110.886 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -60.8 -30.29 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.865 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.9 tt0 -77.69 -38.13 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.898 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -37.66 73.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.569 ' CG1' HD23 ' A' ' 24' ' ' LEU . 35.4 m -78.17 -35.72 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.02 111.136 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.93 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.129 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.23 -42.57 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.456 ' N ' HG13 ' A' ' 76' ' ' VAL . 24.7 mmt -68.6 -53.77 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.86 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 27' ' ' VAL . 14.7 ttt-85 -58.33 -40.79 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -60.07 -53.37 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.518 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.1 p -56.49 -25.41 51.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.52 111.146 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 t80 -75.22 -39.21 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 65.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -71.92 -22.88 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.3 110.908 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -43.58 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.24 111.138 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.578 ' CB ' HD21 ' A' ' 34' ' ' LEU . 3.3 mtt85 -68.24 -30.82 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HG22 ' A' ' 89' ' ' THR . 20.6 ptmt -78.61 -31.91 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.942 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.9 m-20 -58.63 -43.75 89.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.911 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.05 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 45.22 111.067 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 84' ' ' ARG . 87.8 t -71.36 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 72.12 111.104 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 85' ' ' LYS . 12.1 t -56.07 -29.32 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.116 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.071 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.63 HG22 ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.782 0.325 . . . . 72.01 111.183 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 179.03 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.908 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.14 -42.29 93.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 65.31 110.844 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.63 ' HE3' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -65.92 -35.09 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.21 110.874 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.69 -19.36 49.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -116.32 -13.53 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 61.32 111.146 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 9' ' ' LYS . 10.9 mt -51.15 132.55 28.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.85 171.61 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 70.43 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -77.21 -21.6 53.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 53.31 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.36 -57.38 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.14 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.24 -30.84 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -69.7 -44.47 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.44 -34.68 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -74.79 -36.79 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.52 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -47.58 84.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.93 -43.78 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.082 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -62.22 -44.75 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 74.2 110.896 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -42.62 95.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 21.32 112.477 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 74' ' ' VAL . 27.5 mt -66.3 -32.71 74.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 75.11 110.917 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -55.24 14.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.959 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.84 -38.34 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 72.51 110.934 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 78' ' ' ARG . 14.1 t -74.71 -60.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 45' ' ' ILE . 79.7 mt -51.26 -46.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.936 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -65.51 -30.12 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.879 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.51 55.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.883 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.0 tt -75.91 -34.17 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.106 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.569 ' CB ' HD11 ' A' ' 45' ' ' ILE . 20.1 t-20 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.7 m -82.14 -29.62 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 64.41 111.154 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 81' ' ' TYR . 59.3 mt -61.11 -47.44 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.926 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -162.95 19.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.11 -3.17 73.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 74.11 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.97 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 62.43 112.532 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 74.24 110.894 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -48.11 67.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 62.1 110.871 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.86 0.11 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.867 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 45.7 m -52.36 -60.37 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.139 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.84 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.107 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.75 -48.14 23.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.832 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.2 mttt -61.83 -54.38 42.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.907 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 28' ' ' LEU . 5.7 mm -60.25 -30.21 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.34 111.111 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -64.23 -53.9 41.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.6 pp -76.77 -31.11 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.123 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -69.81 -54.89 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.58 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.09 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -52.57 64.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 62.04 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.19 -46.01 92.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.893 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.0 tm-20 -53.38 -45.51 69.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 60.1 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -29.87 70.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 50.45 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.5 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 73.41 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.3 pp -68.8 -36.14 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -71.09 -42.77 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.922 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.14 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 44.2 111.08 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -90.38 -1.92 57.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 70.42 110.869 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -71.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 60.51 110.838 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' O ' HG21 ' A' ' 6' ' ' VAL . 0.5 OUTLIER 63.82 15.48 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 65.44 110.858 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.13 148.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 70.52 110.905 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -42.45 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.34 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.57 59.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 61.35 110.888 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.11 -40.27 62.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 53.13 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.29 -48.51 79.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 74.03 110.898 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -70.59 -30.49 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 62.41 110.897 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.24 -32.35 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.868 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -74.54 -45.54 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.888 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.496 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -70.62 -36.0 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.847 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.75 -27.75 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.875 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 76' ' ' VAL . 36.0 mt-10 -77.54 -45.76 24.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.857 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.36 -37.57 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.899 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 24' ' ' LEU . 29.8 m -77.34 -35.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.139 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.63 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.079 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 77' ' ' MET . 11.1 p -76.07 -42.51 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 72.44 111.173 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 76' ' ' VAL . 12.7 mmt -67.71 -52.48 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 64.42 110.874 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' HG13 ' A' ' 27' ' ' VAL . 22.0 ttt-85 -59.08 -41.39 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.886 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.427 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -61.22 -24.37 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 75.31 111.115 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.73 -45.57 43.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.898 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.85 -23.47 64.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.23 -44.91 12.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.135 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -32.69 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.933 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -26.49 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.27 -30.21 49.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 64.31 110.876 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.64 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 62.22 111.107 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 -30.16 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.21 111.121 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -31.36 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 35.15 111.126 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 61.42 111.116 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 71.24 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -149.47 -45.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.909 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 11' ' ' THR . 3.3 m-20 -122.28 -27.47 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 55.44 110.834 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -28.08 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -83.07 -25.03 32.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 65.24 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.9 t -94.52 21.97 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.43 111.156 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.07 143.37 55.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.942 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.85 176.52 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.895 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.38 -22.38 57.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.837 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.97 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.2 -29.5 58.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 70.13 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -70.32 -50.87 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.853 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.39 77.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 72.33 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -47.05 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.886 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' ND2' HD11 ' A' ' 56' ' ' LEU . 32.4 t30 -55.64 -52.99 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.902 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.4 -41.21 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.111 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.71 -40.91 96.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 62.32 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 74' ' ' VAL . 72.5 mt -71.79 -35.18 69.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 62.31 110.932 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 45' ' ' ILE . 13.0 tp -63.61 -43.71 96.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.892 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.65 -33.95 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' HB ' ' A' ' 74' ' ' VAL . 37.4 t -77.12 -60.24 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.138 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.1 mm? -50.46 -39.29 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.929 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -73.49 -29.53 62.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 42.32 110.878 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -49.81 74.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 50.23 110.864 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' HB2' ' A' ' 81' ' ' TYR . 2.0 pp -75.5 -33.33 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.161 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.571 ' CB ' HD11 ' A' ' 45' ' ' ILE . 10.7 t-20 -72.97 -25.16 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 44.55 110.9 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.1 m -84.61 -30.83 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 51.25 111.13 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.2 tp -59.55 -39.73 84.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -174.7 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.849 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -91.42 -8.43 64.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.758 -0.734 . . . . 42.25 112.504 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -44.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 61.23 112.476 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 65.13 110.833 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.88 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 60.33 110.907 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.64 6.76 19.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' ILE . 29.4 m -58.25 -61.31 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.01 111.095 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.7 -37.65 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 60.53 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.7 -47.36 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 61.04 110.861 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -61.66 -53.89 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.2 110.873 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.681 HG22 HD12 ' A' ' 25' ' ' LEU . 3.9 mm -60.8 -30.6 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.104 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -63.56 -53.52 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.97 -32.44 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.127 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' N ' HD12 ' A' ' 47' ' ' ILE . 10.2 m-70 -67.97 -54.66 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.877 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.84 79.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.113 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -55.32 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.01 -45.15 91.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.884 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.32 -54.41 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.02 110.868 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HA ' HD21 ' A' ' 56' ' ' LEU . 7.7 tm-20 -54.56 -45.51 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.116 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 75.25 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.65 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.6 pp -69.49 -31.98 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.14 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -75.46 -49.04 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.881 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.34 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 61.11 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -93.4 -2.13 55.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.41 110.882 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 121.97 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.873 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -84.4 -16.78 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 53.02 110.854 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.32 -177.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.877 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -61.16 -33.91 74.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.892 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -38.49 53.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 61.51 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -68.0 -31.0 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.894 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -72.74 -53.7 10.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.917 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -42.49 94.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.885 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.71 -25.88 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 60.1 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -73.57 -53.5 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -69.81 -41.86 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.911 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' HA ' HG22 ' A' ' 74' ' ' VAL . 10.0 t30 -62.93 -29.67 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 60.42 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.0 tt0 -78.79 -34.92 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.845 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -74.15 -33.75 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.14 110.86 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.801 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.1 m -77.59 -37.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.22 111.082 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.04 72.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 77' ' ' MET . 13.7 p -74.89 -42.19 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.113 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.46 ' N ' HG13 ' A' ' 76' ' ' VAL . 19.8 mmt -70.54 -55.54 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 ttt180 -55.23 -41.53 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.832 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.46 -51.61 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.79 ' HB2' HG22 ' A' ' 31' ' ' ILE . 2.2 t80 -76.82 -37.93 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.96 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.12 -22.75 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -54.26 4.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.114 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 88' ' ' VAL . 50.8 mtp180 -58.55 -41.88 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 71.31 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -25.96 68.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 65.22 110.884 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -31.03 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.889 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.61 -46.02 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.161 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 84' ' ' ARG . 91.3 t -63.23 -38.77 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -75.14 -29.65 60.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.53 111.19 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.51 111.085 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.327 . . . . 73.14 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 179.18 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.738 ' O ' HG22 ' A' ' 11' ' ' THR . 0.9 OUTLIER -92.62 -24.22 18.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.847 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -25.97 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.41 110.856 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -13.77 29.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 75.32 110.876 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 8' ' ' ASP . 3.7 t -77.57 -17.34 57.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 65.04 111.148 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 12' ' ' LEU . 3.4 pp -81.98 125.26 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.915 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.11 -170.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 52.23 110.878 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.22 -22.21 64.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.03 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -53.21 59.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 63.54 111.113 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.1 -29.48 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.892 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -69.78 -50.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 70.31 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.02 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.126 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -75.5 -46.83 30.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.05 -52.99 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.852 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.64 -44.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.19 -49.13 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 71.3 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.89 95.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 71.3 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.7 mt -64.07 -37.08 86.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 75.32 110.897 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.87 -47.71 76.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.933 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' MET . 56.2 mm-40 -59.4 -40.16 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.909 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.719 HG21 ' HB ' ' A' ' 74' ' ' VAL . 35.2 t -74.33 -57.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.33 111.146 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 48' ' ' HIS . 3.6 mp -52.81 -44.9 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 51.2 110.883 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 16.9 ptt? -66.07 -30.79 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.916 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -49.14 75.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.11 110.894 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 80' ' ' THR . 10.6 tt -75.64 -34.39 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.42 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.707 ' HB3' HG23 ' A' ' 41' ' ' THR . 4.7 t-20 -71.79 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.911 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 m -85.5 -29.98 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.157 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.1 tp -60.78 -41.3 95.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -170.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.912 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.22 -2.25 60.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.508 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.47 -41.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.474 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.75 -61.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 71.44 110.86 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -67.76 -50.13 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.53 2.94 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 60.44 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 32' ' ' ASN . 26.2 m -55.29 -62.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.131 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.77 -33.95 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.077 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.0 -51.21 26.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -64.11 -40.1 95.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp -64.4 -31.78 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.172 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -70.88 -49.95 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.823 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.59 -31.83 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.122 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' HD21 ' A' ' 28' ' ' LEU . 3.4 t-160 -74.33 -56.2 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.884 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.05 -36.52 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 63.3 111.084 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -74.41 -49.43 22.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.4 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.28 -50.09 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 65.04 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' HD2' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.58 -46.51 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 60.45 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.586 ' OE1' HD11 ' A' ' 56' ' ' LEU . 6.9 tp10 -52.79 -46.05 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.861 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.48 -29.89 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 51.14 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.58 -49.34 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.02 111.101 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.1 pp -69.2 -35.88 76.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.876 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -70.99 -47.6 57.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.832 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.61 -30.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 43.54 111.082 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.81 -1.49 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -68.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 54.05 110.877 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 15.69 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 44.12 110.851 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -176.13 145.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.876 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.88 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.906 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -43.96 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.72 -31.13 59.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.86 -57.01 9.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -39.26 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 61.12 110.892 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.88 -30.39 71.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 m -73.6 -52.95 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.866 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.539 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -67.56 -27.16 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.887 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -74.97 -31.59 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.32 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -77.93 -34.95 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.891 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.4 -36.41 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.719 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.3 m -76.94 -37.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.09 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.19 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.08 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 77' ' ' MET . 14.8 p -77.6 -42.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 63.41 111.136 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 80' ' ' THR . 31.5 mmt -67.89 -52.23 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.864 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' HG13 ' A' ' 27' ' ' VAL . 34.0 ttt180 -61.8 -35.52 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -62.8 -57.62 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 71.02 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.651 HG23 HD12 ' A' ' 31' ' ' ILE . 9.0 t -56.63 -24.08 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 55.43 111.163 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.29 -49.56 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -76.71 -23.4 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.878 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -80.62 -46.95 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.13 111.147 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.49 -36.46 78.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.607 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.72 -25.93 57.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.921 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -46.44 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.877 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.74 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 51.34 111.101 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.89 -61.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 45.34 111.123 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -57.59 -28.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.53 111.104 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.108 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.789 HG23 ' HE3' ' A' ' 9' ' ' LYS . 27.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.759 0.314 . . . . 71.4 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' HG3' HG12 ' A' ' 6' ' ' VAL . 18.3 mt-30 -146.41 -44.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.918 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -116.61 -30.17 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.856 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.789 ' HE3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.81 -28.08 50.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.34 110.92 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -75.08 -13.34 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.858 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -111.04 14.96 21.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.51 111.157 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -61.83 138.28 58.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 54.41 110.885 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 m -100.36 178.53 4.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 55.32 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -76.83 -21.99 54.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 63.13 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.74 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.054 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -54.8 -29.86 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.881 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -69.36 -51.03 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.833 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.66 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.01 111.103 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -73.27 -45.25 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -54.23 -52.91 59.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.852 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.36 -35.9 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.163 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -63.89 -39.6 94.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 71.04 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.97 -32.64 52.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.484 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -74.3 -41.75 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 73.14 110.873 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.96 -51.93 34.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.14 110.893 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.36 -36.77 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.941 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 78' ' ' ARG . 12.4 t -77.3 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.155 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 24' ' ' LEU . 12.7 mt -52.18 -39.18 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.94 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -75.06 -26.65 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.892 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -48.9 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.53 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 80' ' ' THR . 3.8 tp -75.0 -34.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.24 111.147 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.1 -32.76 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.89 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -87.17 -31.95 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.141 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.3 tp -52.89 -40.06 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.936 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -175.86 26.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.925 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.46 75.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 71.4 112.477 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.4 78.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 53.51 112.517 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -127.99 88.04 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 73.22 110.831 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -24.33 37.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.871 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.11 12.03 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.9 t -44.66 -46.97 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.13 111.172 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 41' ' ' THR . . . -45.85 -39.2 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 55.15 111.094 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -46.79 24.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 61.24 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -54.7 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 45' ' ' ILE . 5.7 mm -61.5 -30.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 63.11 111.136 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -53.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 62.53 110.853 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.39 -33.95 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.13 111.138 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 47' ' ' ILE . 16.2 m170 -66.59 -53.77 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.82 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.01 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 45.32 111.104 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -55.57 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 64.44 110.881 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.35 -35.35 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.898 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.38 -50.87 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.691 ' OE1' HD11 ' A' ' 56' ' ' LEU . 9.0 tp10 -52.75 -42.53 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -29.73 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.15 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.06 -49.39 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.41 111.119 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.9 pp -67.27 -40.74 86.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 9.7 t80 -66.28 -44.35 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.898 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.48 -38.78 71.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.11 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -84.82 -1.57 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -65.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 64.23 110.871 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.86 15.64 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.4 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 131.45 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.913 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -51.96 -34.33 41.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -50.69 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.922 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -59.38 -29.83 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -73.89 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 71.55 110.932 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 45.31 110.843 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -64.51 -29.47 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -70.33 -56.89 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 42.01 110.874 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 62.34 110.875 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.3 tt0 -78.18 -37.68 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -37.68 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.876 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD23 ' A' ' 24' ' ' LEU . 33.9 m -77.71 -36.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 74.15 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.03 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 44.02 111.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 12.1 p -76.66 -42.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.114 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 13.1 mmt -67.67 -53.35 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.45 110.89 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 11.0 ttt180 -60.09 -36.5 77.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.13 -56.14 21.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.44 HG23 HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -56.78 -23.76 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.103 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.0 t80 -74.05 -48.05 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.919 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -70.93 -23.34 62.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -46.02 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 51.35 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.1 mtt180 -65.59 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.911 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -25.84 34.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.891 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.33 -26.04 63.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 51.15 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.1 -35.15 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 73.21 111.109 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.9 t -69.22 -30.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.143 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -29.19 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 75.51 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.099 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.674 HG12 ' HG3' ' A' ' 7' ' ' GLN . 21.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.728 0.299 . . . . 61.13 111.129 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.674 ' HG3' HG12 ' A' ' 6' ' ' VAL . 37.8 mt-30 -146.52 -44.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.909 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -115.42 -30.73 6.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.85 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.632 ' CE ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -78.36 -28.71 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.852 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.16 63.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 61.44 110.88 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -99.31 18.8 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.181 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.624 HD22 ' CG ' ' A' ' 16' ' ' GLU . 14.0 mt -72.65 139.8 47.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 52.44 110.917 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.0 -170.81 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 54.41 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -22.29 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.3 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.05 111.103 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.624 ' CG ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -54.98 -29.51 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.885 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.6 mtt180 -71.93 -39.78 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.51 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.77 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 70.13 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.882 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -33.44 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 65.33 110.877 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 17' ' ' ARG . 37.3 t -71.63 -47.32 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.33 -45.56 76.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.86 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.04 -45.18 89.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 71.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 74' ' ' VAL . 57.5 mt -65.54 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 61.41 110.891 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.84 -51.65 60.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 74.01 110.885 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.41 -36.89 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.741 HG21 ' HB ' ' A' ' 74' ' ' VAL . 40.0 t -74.36 -60.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.159 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.0 mm? -48.9 -46.68 43.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.896 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -65.22 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.12 110.872 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -50.12 75.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.881 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 27' ' ' VAL . 1.1 mp -75.68 -43.41 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.5 t-20 -61.3 -25.42 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 74.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -84.22 -30.49 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 75.15 111.098 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.7 tp -60.56 -39.71 88.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 51.12 110.925 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.89 26.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -101.65 1.38 52.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 60.3 112.437 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.12 -43.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 63.31 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER 75.3 -60.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 73.44 110.871 -179.726 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -40.07 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 51.51 110.87 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.61 10.12 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 61.45 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 38' ' ' SER . 46.8 p -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.098 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.77 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 63.33 111.056 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -51.36 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.856 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.8 mttm -62.55 -45.51 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' CG2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.8 -31.47 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.23 111.157 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -50.36 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 61.14 110.882 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.19 -33.63 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 70.1 111.118 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.485 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.4 m-70 -69.43 -55.17 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.875 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.96 95.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.099 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.9 -55.37 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.835 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.39 -48.97 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.51 110.858 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -54.42 -51.28 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.876 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -53.53 -45.86 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.902 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.57 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.53 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.33 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 44.02 111.094 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.76 -31.73 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 55.41 110.938 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -75.68 -49.06 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.946 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.65 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 62.11 111.143 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -89.04 -9.99 49.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 54.52 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 121.58 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.832 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -87.44 -18.77 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.841 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.4 170.25 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.869 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -51.4 -33.94 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 45.32 110.907 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -33.28 57.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -31.6 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 64.23 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -70.45 -53.15 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.923 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -64.23 -42.04 96.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.13 -25.49 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -73.16 -51.53 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.64 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.37 -41.92 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.874 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.89 -31.53 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -79.83 -31.9 40.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 73.02 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -36.91 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.891 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.741 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.5 m -75.91 -39.22 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.139 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.24 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 51.34 111.093 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.56 -37.92 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.136 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.49 ' HB2' HG11 ' A' ' 27' ' ' VAL . 3.3 mmt -70.96 -54.78 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 62.33 110.899 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.618 ' HB3' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -58.34 -33.92 70.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.87 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -68.22 -43.07 78.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -27.68 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.55 111.193 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.73 25.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.24 -23.44 62.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 62.3 110.898 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.5 -46.59 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.05 111.153 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 88' ' ' VAL . 16.1 mtt85 -63.96 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.503 ' O ' HG22 ' A' ' 89' ' ' THR . 0.1 OUTLIER -78.71 -25.95 44.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 60.21 110.887 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.49 -35.21 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.923 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.35 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 64.44 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.6 t -62.89 -47.06 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.085 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 85' ' ' LYS . 11.1 t -67.57 -29.77 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.172 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.072 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.868 0.366 . . . . 72.41 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -22.17 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -54.12 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.21 111.104 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -54.81 -29.81 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.91 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -69.88 -51.0 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.839 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.3 77.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.05 111.1 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -75.22 -47.41 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.615 ' ND2' HD11 ' A' ' 56' ' ' LEU . 46.4 t30 -54.74 -51.78 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.859 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.69 -46.76 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.135 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.42 -47.43 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.32 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.23 -45.02 84.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 61.15 112.485 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' CG1' ' A' ' 74' ' ' VAL . 39.0 mt -62.57 -40.9 98.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 75.03 110.907 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -62.33 -49.37 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.918 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -41.97 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.896 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.623 HG21 ' HB ' ' A' ' 74' ' ' VAL . 15.9 t -74.13 -59.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.22 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 45' ' ' ILE . 5.8 mp -50.23 -47.04 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 61.22 110.913 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.27 -30.06 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 65.14 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -50.24 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 63.13 110.847 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 11.3 tt -76.04 -34.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.05 111.128 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.722 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.7 t-20 -70.5 -26.43 63.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -86.06 -30.24 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.19 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.39 -39.95 89.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 51.35 110.917 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -172.83 26.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 53.21 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.34 1.72 57.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 72.41 112.509 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.72 -46.44 1.02 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 62.45 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 73.97 -63.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 50.43 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -68.1 -49.44 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 63.43 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.6 -0.52 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.884 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG12 ' A' ' 45' ' ' ILE . 28.7 m -51.39 -56.55 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 65.11 111.099 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.44 -37.39 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 42.4 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.96 -43.83 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 52.53 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -62.89 -54.49 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.722 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -62.31 -30.73 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 72.43 111.165 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -62.66 -53.84 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -76.47 -35.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.111 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -64.47 -53.69 44.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.83 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.84 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.068 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -49.18 74.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 60.32 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -65.86 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.905 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.26 -54.76 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 55.32 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.438 ' HA ' HD21 ' A' ' 56' ' ' LEU . 13.0 pt-20 -57.11 -33.33 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.16 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.32 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.13 -49.1 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.1 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.615 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.3 pp -67.17 -33.1 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -75.8 -51.0 13.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 71.52 110.915 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.38 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -8.04 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 122.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 65.1 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -18.98 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 52.35 110.849 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.5 170.22 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.99 28.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.923 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.03 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.917 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -32.22 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.898 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -69.33 -52.61 25.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -68.24 -27.75 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -70.37 -54.8 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.99 -43.15 79.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 64.33 110.905 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -59.51 -29.89 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.861 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 76' ' ' VAL . 42.5 mt-10 -78.0 -41.86 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 64.31 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -37.28 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 70.41 110.901 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.631 ' CG1' HD23 ' A' ' 24' ' ' LEU . 36.0 m -77.31 -36.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.131 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.77 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.11 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 77' ' ' MET . 12.7 p -76.16 -42.46 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.159 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 mmt -67.56 -52.66 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.872 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 25.9 ttt85 -59.24 -39.74 83.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.84 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -61.21 -46.41 90.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 63.52 110.903 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.17 -24.52 67.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 65.4 111.127 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.403 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.0 t80 -74.89 -46.39 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.938 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -78.96 -23.24 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 41.15 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -81.3 -41.8 21.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 54.54 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.59 -38.99 64.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 65.01 110.838 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.599 ' HB3' HD22 ' A' ' 34' ' ' LEU . 2.8 pttp -76.66 -25.67 53.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -53.0 -47.86 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.883 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.46 79.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.137 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.94 -45.54 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -77.08 -31.23 55.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 62.22 111.119 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.096 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.91 0.386 . . . . 74.3 110.834 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -72.46 -22.27 61.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 54.01 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.25 59.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 51.42 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.15 -29.6 58.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.852 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -69.86 -51.27 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.35 110.853 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.3 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -75.46 -46.93 29.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.72 -47.7 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 54.14 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.39 -34.19 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 64.11 111.131 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -64.25 -45.08 89.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.94 -32.04 61.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.521 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 74' ' ' VAL . 55.1 mt -77.3 -39.87 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 72.54 110.883 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.28 -39.5 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 54.34 110.915 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -71.01 -39.5 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.933 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.3 t -75.85 -57.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.145 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.9 mt -50.5 -43.7 55.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 35.1 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -69.49 -30.74 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.86 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -49.14 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.65 HD12 ' CG2' ' A' ' 80' ' ' THR . 8.3 tt -76.29 -34.79 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.135 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 7.3 t-20 -69.83 -26.02 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.909 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.8 m -85.69 -30.49 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 65.35 111.08 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.21 -39.8 87.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 74.12 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -173.74 26.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.93 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.06 -3.72 61.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 74.45 112.489 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.51 -42.62 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 63.14 112.487 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.65 -61.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 61.23 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.4 p -67.97 -49.47 61.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 33.13 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -2.03 42.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 m -51.55 -59.47 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 55.11 111.136 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.97 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.23 111.067 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -45.39 36.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 64.52 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.87 -54.73 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -60.61 -30.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.158 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.2 -52.98 56.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.892 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.41 -30.74 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.31 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.8 m170 -70.0 -54.17 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.861 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.21 76.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -55.52 33.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.91 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.39 -46.24 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 44.35 110.859 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.71 -53.87 46.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.882 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -53.56 -45.6 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.897 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.98 70.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 51.4 111.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.71 -49.37 18.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 62.22 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.26 -31.95 70.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.883 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -75.64 -48.82 20.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.887 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.77 75.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -92.62 -2.34 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.89 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.73 120.45 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 60.32 110.845 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 m -87.73 -15.48 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.28 -174.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 64.11 110.828 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -63.62 -33.66 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 40.04 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -41.65 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.927 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.85 -31.93 73.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.6 -51.66 22.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -67.77 -40.59 84.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.894 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.64 -30.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 65.22 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -73.7 -50.56 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.857 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 74' ' ' VAL . 6.9 ptt? -69.04 -34.76 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.2 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.17 -27.53 64.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 76' ' ' VAL . 11.1 tt0 -78.21 -49.35 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.891 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.05 -37.74 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.576 HG12 HD23 ' A' ' 24' ' ' LEU . 31.6 m -76.86 -34.87 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.148 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.25 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.095 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 77' ' ' MET . 14.1 p -77.68 -41.35 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.151 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 4.6 mmt -67.76 -52.22 39.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.904 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -62.31 -35.38 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -62.52 -57.39 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.65 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.6 -24.14 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.121 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.56 -49.44 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.91 -23.4 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -79.95 -46.49 16.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.54 111.18 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -74.63 -25.96 59.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.23 110.888 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -42.55 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.873 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.28 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.121 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.47 -52.02 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 85' ' ' LYS . 9.4 t -68.04 -26.88 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 62.12 111.107 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.4 111.086 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.902 0.382 . . . . 61.42 110.894 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.53 -22.33 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.32 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 73.43 111.102 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.29 -29.53 58.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -68.88 -50.68 47.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 71.25 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 45.43 111.104 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.59 -46.67 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.852 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -54.54 -51.74 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.1 -48.68 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.87 -48.26 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.47 96.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.466 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.572 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -66.15 -31.66 72.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 43.03 110.899 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -67.71 -52.33 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.08 -38.98 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.605 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.0 t -74.45 -59.38 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 61.34 111.099 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.35 -46.13 62.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.921 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.81 -30.07 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.31 110.906 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -51.52 66.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.0 tt -75.55 -34.72 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 73.02 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.653 ' HB3' HG23 ' A' ' 41' ' ' THR . 9.5 t-20 -69.63 -27.12 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.873 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.5 m -86.69 -30.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.115 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.4 tp -60.47 -39.68 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 63.54 110.89 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -172.78 26.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.26 5.64 49.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 71.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.39 -45.44 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.676 -0.773 . . . . 70.42 112.507 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.16 -61.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 72.32 110.858 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m -68.07 -49.32 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 53.12 110.849 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.52 -4.71 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 70.22 110.85 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.3 m -51.26 -39.03 55.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 52.22 111.106 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 62.12 111.125 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.65 -41.06 61.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.864 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -48.92 63.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -63.04 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.198 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.66 -51.87 44.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.869 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.51 -32.94 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.2 111.139 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 47' ' ' ILE . 15.0 m-70 -70.87 -54.11 12.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.86 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 61.33 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -53.27 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.861 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.65 -49.86 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 71.42 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -58.99 -51.93 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.54 -45.18 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 62.45 110.885 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 70.12 111.092 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.43 -48.64 21.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 72.14 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -70.52 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.921 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.71 -49.79 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.69 78.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -92.28 -2.17 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 123.05 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 53.4 110.829 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -99.86 -19.43 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.03 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.36 174.32 1.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 65.4 110.874 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -28.95 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -52.45 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.902 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -34.22 74.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.54 -55.72 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.935 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -49.25 78.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.19 -30.39 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -57.49 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.815 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.649 ' O ' HG22 ' A' ' 74' ' ' VAL . 3.8 ptt? -67.98 -43.21 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -59.2 -28.63 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 42.42 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -78.63 -49.81 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -38.58 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 70' ' ' MET . 30.7 m -76.82 -36.09 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.16 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.67 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 32.33 111.085 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 77' ' ' MET . 11.7 p -76.95 -41.71 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.129 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.8 mmt -67.97 -53.11 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.904 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 tmt_? -59.92 -39.35 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 75.01 110.845 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.24 -46.53 89.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.859 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -63.64 -24.59 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.146 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -74.13 -46.68 41.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -79.75 -23.25 42.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 m -80.46 -42.36 22.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 60.21 111.13 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -74.66 -36.2 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.499 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.16 -25.82 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.901 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.45 -45.42 80.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 54.21 110.891 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.54 69.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 60.21 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.04 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 70.34 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -56.71 -31.99 65.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.43 111.123 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 63.13 111.083 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.933 0.396 . . . . 75.24 110.866 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -58.42 -22.44 54.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.93 87.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 64.34 111.046 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -54.91 -28.58 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.862 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -65.13 -50.75 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.89 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.6 94.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.068 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.75 -46.43 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -53.93 -45.23 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.908 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.23 -36.66 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.32 111.142 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.38 -46.31 89.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.94 -29.36 69.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 43.51 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 46.1 mt -77.21 -40.1 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 75.15 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 45' ' ' ILE . 1.6 tp -67.2 -39.62 86.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.867 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -71.01 -39.29 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.13 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 74' ' ' VAL . 15.0 t -75.91 -56.9 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.2 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 45' ' ' ILE . 48.1 mt -50.76 -44.03 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.88 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -69.74 -29.62 67.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.87 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.883 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG23 ' A' ' 80' ' ' THR . 5.7 tp -77.11 -34.21 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.13 111.111 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.538 ' CB ' HD11 ' A' ' 45' ' ' ILE . 12.5 t-20 -70.47 -26.55 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.885 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.9 m -86.06 -30.9 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 54.14 111.118 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.5 26.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.25 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.07 4.82 52.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.12 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.57 -47.41 1.0 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 65.24 112.502 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 73.9 -62.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 63.44 110.847 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p -68.12 -49.17 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.86 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -82.73 2.13 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.917 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.2 m -57.91 -59.24 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.176 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.49 -37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.02 111.119 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -46.79 24.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -60.95 -54.31 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.714 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.6 mm -61.91 -30.59 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -62.34 -53.29 57.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.74 -35.15 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 64.33 111.131 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.3 m170 -65.04 -54.61 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.853 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.37 63.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -54.0 -50.93 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.83 -44.34 93.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.07 -54.54 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 64.41 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 10.8 tp10 -54.59 -45.79 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.856 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.12 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 54.34 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -48.8 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.6 pp -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 70.5 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -75.34 -49.2 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.898 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.05 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 63.22 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -93.49 -3.7 52.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.18 121.75 9.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -92.94 -20.04 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.851 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.62 168.28 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.853 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -29.47 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 64.12 110.895 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -36.72 55.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.925 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -31.36 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -73.2 -54.31 8.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.905 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -61.89 -37.12 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 61.4 110.897 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.73 -25.98 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 71.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -73.79 -49.8 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 51.33 110.858 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.603 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 ppp? -72.37 -41.94 65.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 74.55 110.927 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.87 -28.01 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.83 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 76' ' ' VAL . 50.1 tt0 -78.56 -49.12 13.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.918 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -37.99 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.917 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 70' ' ' MET . 34.4 m -77.2 -35.7 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 60.32 111.096 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.99 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 77' ' ' MET . 11.9 p -77.53 -42.7 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.41 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.474 ' O ' HG22 ' A' ' 80' ' ' THR . 30.2 mmt -66.87 -51.88 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.885 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.5 -34.99 77.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 70.24 110.879 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.45 -56.58 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.873 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -58.58 -24.09 60.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.54 111.174 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 3.7 t80 -71.23 -48.96 48.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 71.44 110.919 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -79.9 -23.0 42.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 m -79.57 -43.08 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.184 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.417 ' HB2' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -74.56 -38.15 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.908 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.562 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.15 -25.9 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.925 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.73 -44.46 81.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.11 79.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.4 111.12 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.35 -54.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 61.3 111.092 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -62.36 -30.86 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.124 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.111 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.874 0.368 . . . . 62.02 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -72.57 -22.25 61.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.877 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.53 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.095 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.96 -29.88 57.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 63.22 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -67.5 -50.86 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.17 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.085 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -48.78 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -49.5 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.3 -49.91 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.2 -48.29 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.39 94.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 74' ' ' VAL . 41.9 mt -63.56 -38.84 92.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 73.52 110.927 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -62.42 -52.37 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.934 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -40.48 73.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.947 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.663 HG21 ' HB ' ' A' ' 74' ' ' VAL . 23.5 t -73.03 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.2 mm? -50.74 -48.21 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.51 110.959 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.0 ptt? -62.87 -29.92 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.887 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -53.48 53.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.12 -34.2 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.22 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.558 ' CB ' HD11 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.857 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.0 m -80.78 -29.39 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.139 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD11 ' O ' ' A' ' 81' ' ' TYR . 63.6 mt -62.01 -47.54 84.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 73.31 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -162.94 19.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 60.32 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -83.0 -11.45 81.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 62.42 112.497 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.68 -42.2 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 72.42 112.484 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 74.5 110.862 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -68.09 -47.18 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.97 3.61 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.86 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 m -50.89 -57.12 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.125 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.09 -37.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.55 111.061 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.36 -43.68 32.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -62.97 -54.13 43.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mm -62.89 -30.42 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 71.35 111.137 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -63.23 -52.21 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.31 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -35.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.475 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -65.31 -54.44 29.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.856 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.93 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.52 -49.34 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.05 -44.29 89.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.01 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.04 -54.71 41.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.7 tt0 -55.49 -45.06 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 70.22 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.34 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.05 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.57 -48.98 20.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.117 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.7 pp -69.54 -32.18 70.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.33 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -75.62 -47.34 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.9 80.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 61.21 111.102 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -85.6 -11.16 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 120.84 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 51.1 110.888 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -92.55 -14.04 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.842 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 -169.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -69.19 -34.58 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -37.08 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.913 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -31.5 69.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -73.99 -53.17 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.959 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.22 98.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 63.11 110.834 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.56 -26.62 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -70.82 -53.87 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.655 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -69.75 -43.17 72.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.84 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.2 -28.47 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 74.44 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 tt0 -78.78 -49.06 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.826 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -59.47 -38.54 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.943 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.663 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -76.84 -36.5 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 61.34 111.124 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.35 111.107 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -75.3 -43.06 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.14 111.104 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.7 mmt -66.61 -52.39 45.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.906 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.7 ttt-85 -58.51 -41.43 85.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.843 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -47.75 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -24.12 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 61.01 111.168 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -74.86 -46.95 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.917 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.47 -23.76 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.23 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -44.25 12.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.154 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 88' ' ' VAL . 46.7 mtt180 -65.71 -32.79 74.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.867 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.5 -26.35 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.902 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.9 -33.93 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 61.4 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -28.48 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 70.33 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 84' ' ' ARG . 94.6 t -71.36 -54.28 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.156 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 85' ' ' LYS . 6.5 t -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.137 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.087 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.886 0.374 . . . . 71.32 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -55.82 -22.62 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.849 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -54.1 48.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -29.43 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 60.13 110.897 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -71.2 -40.34 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.64 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.44 111.099 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -36.68 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 56' ' ' LEU . 2.0 t30 -65.67 -45.92 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 62.31 110.891 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.02 -42.03 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 64.31 111.114 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.54 -49.14 77.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.93 89.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 43.23 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -66.17 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 54.32 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 HD12 ' CG2' ' A' ' 45' ' ' ILE . 7.0 tp -66.1 -38.01 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.936 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.56 -42.45 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.547 HG21 ' HB ' ' A' ' 74' ' ' VAL . 24.1 t -74.31 -56.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.01 111.097 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 45' ' ' ILE . 81.7 mt -49.92 -46.8 52.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.57 -29.07 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 42.15 110.856 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -50.34 73.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.854 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 81' ' ' TYR . 5.8 tp -76.33 -34.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.643 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.8 t-20 -70.59 -26.58 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 70.54 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 m -86.0 -30.65 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.13 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.1 tp -59.96 -39.23 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.2 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -174.32 26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.85 -1.91 59.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.473 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.88 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 52.23 112.487 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.53 -61.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 70.54 110.848 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -68.12 -49.52 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 45.35 110.842 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.9 -2.18 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 45' ' ' ILE . 47.6 m -51.24 -59.19 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 54.42 111.143 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.47 -38.14 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.05 111.075 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -44.04 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.821 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -63.87 -54.92 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.882 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.643 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -60.7 -30.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.03 111.119 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.81 -52.37 57.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.853 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.85 -29.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.512 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.7 m170 -71.41 -54.17 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.832 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.16 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 34.34 111.093 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -64.82 -49.88 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.871 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -64.35 -48.24 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.03 110.864 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.84 -54.73 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.01 -45.92 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.13 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.43 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.71 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -69.7 -31.9 70.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.907 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -75.37 -48.56 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.73 -36.15 80.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 64.01 111.093 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -89.29 -7.98 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.833 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 122.06 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.851 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -98.6 -18.29 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 61.32 110.901 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.52 168.97 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 72.12 110.84 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -51.35 -32.99 27.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 75.1 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -34.25 57.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.922 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -33.44 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.874 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -72.74 -53.54 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.917 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.33 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.898 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -70.19 -25.74 63.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 m -73.51 -50.48 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.32 110.819 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.3 -42.13 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 55.52 110.879 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 73.21 110.902 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.3 tp10 -78.52 -38.26 41.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.912 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -38.09 74.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.87 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 70' ' ' MET . 27.1 m -77.65 -35.87 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 64.42 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.1 91.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.5 p -77.15 -42.46 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.156 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.495 ' O ' HG22 ' A' ' 80' ' ' THR . 31.3 mmt -67.55 -52.46 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.851 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.57 -34.84 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.914 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.34 -57.4 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.847 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -56.88 -23.76 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.134 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.424 ' HA ' HD13 ' A' ' 31' ' ' ILE . 4.8 t80 -72.97 -48.72 34.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -77.72 -23.32 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 54.14 110.884 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.64 -43.58 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.32 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.3 mtt180 -71.34 -40.16 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.846 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.8 pttp -75.59 -25.69 57.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.915 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -51.75 -48.5 63.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.918 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.89 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.3 111.097 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.62 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.3 t -62.14 -29.99 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.131 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.12 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.913 0.387 . . . . 61.55 110.873 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -76.3 -21.92 55.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 75.31 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -29.81 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.87 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -72.16 -40.65 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.152 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.22 -38.42 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -62.82 -48.84 77.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.23 110.837 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.01 -44.38 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 70.01 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -56.32 -47.26 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 62.53 110.859 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.26 93.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.523 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 74' ' ' VAL . 28.1 mt -66.49 -31.72 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 73.31 110.925 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.598 HD12 ' CG2' ' A' ' 45' ' ' ILE . 1.8 tp -67.26 -55.57 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.875 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.92 -39.37 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.497 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.4 t -73.19 -60.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.135 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 45' ' ' ILE . 83.0 mt -51.62 -47.97 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 61.43 110.943 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -63.1 -29.7 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -53.37 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 74.04 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 ' OG1' ' A' ' 80' ' ' THR . 15.4 tt -75.53 -34.57 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.128 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.609 HD22 HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER -64.05 -24.4 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.864 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.4 m -80.62 -29.86 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.15 111.141 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 81' ' ' TYR . 38.5 mt -61.01 -47.27 87.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -164.65 20.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.31 110.898 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -92.92 -1.97 67.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 71.33 112.479 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.59 -48.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 71.42 112.482 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 41' ' ' THR . 1.1 m 74.5 -61.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 52.51 110.823 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.0 p -78.59 -42.98 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.03 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.65 8.2 15.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.891 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.609 HG22 HD22 ' A' ' 32' ' ' ASN . 18.6 p -49.41 -64.47 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.55 111.11 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.72 -34.59 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.12 111.115 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -74.35 -51.83 13.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.2 mttp -62.71 -54.0 45.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.598 ' CG2' HD12 ' A' ' 25' ' ' LEU . 4.6 mm -57.97 -30.25 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.01 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -66.29 -53.33 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -76.09 -28.45 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.116 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.2 m170 -73.36 -54.88 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.96 96.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.73 -52.2 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 65.03 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.43 -49.75 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 70.53 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -54.12 -52.35 61.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.843 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.4 tm-20 -53.25 -45.51 68.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.902 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.07 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 61.5 111.131 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.54 -49.94 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 54.5 111.083 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.2 pp -68.38 -38.78 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -68.59 -40.06 80.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.04 61.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -2.1 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -67.77 -72.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.13 15.72 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 61.04 110.845 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.62 141.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 64.35 110.846 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.37 74.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -34.01 58.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.51 -31.71 65.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.908 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -51.86 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.935 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -60.55 -38.62 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.879 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.89 -29.43 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -69.86 -56.42 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.873 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.633 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -65.2 -37.28 86.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.829 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 71.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -78.47 -37.04 44.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 73.03 110.878 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -71.36 -38.44 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 70' ' ' MET . 27.6 m -77.25 -36.32 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.115 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 77' ' ' MET . 13.0 p -76.43 -41.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.11 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.454 ' N ' HG13 ' A' ' 76' ' ' VAL . 20.4 mmt -68.55 -53.21 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -59.01 -41.38 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 62.24 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.52 -52.51 65.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.541 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.4 p -57.95 -24.98 60.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 70.42 111.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -75.15 -38.65 60.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.956 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.6 -22.78 60.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.867 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.1 mtt180 -65.32 -50.86 64.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 61.1 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -52.11 -31.27 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.98 -34.69 59.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.62 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.085 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.3 t -71.24 -30.2 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.115 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -26.13 64.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.54 111.113 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 64.21 111.121 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.89 0.376 . . . . 72.23 110.83 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -76.49 -22.28 54.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 70.12 110.917 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.51 111.113 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.14 -29.67 58.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -68.86 -50.87 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 60.44 111.115 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -72.13 -46.56 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 56' ' ' LEU . 33.8 t30 -54.6 -51.98 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.81 -41.45 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.163 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.67 -45.51 91.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.68 63.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 74' ' ' VAL . 36.4 mt -65.96 -41.46 91.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 71.51 110.883 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -50.83 69.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.919 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -56.41 -40.05 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.951 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 74' ' ' VAL . 39.3 t -74.72 -59.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' A' ' 45' ' ' ILE . 9.8 mp -50.46 -44.81 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 63.33 110.934 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -67.23 -29.81 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -49.67 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 73.32 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.7 tt -75.1 -34.79 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.14 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.622 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.32 -25.92 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.899 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 m -85.36 -30.61 23.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.14 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.0 tp -59.68 -39.72 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.953 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -174.21 26.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.51 -3.06 61.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 74.24 112.472 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.52 -44.41 1.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.727 . . . . 63.12 112.48 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 74.35 -61.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 54.42 110.889 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -67.97 -49.75 59.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 65.52 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.79 -1.04 45.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.3 110.865 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.7 m -54.43 -58.91 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 42.42 111.137 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.06 -38.04 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 31.2 111.066 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -44.98 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.859 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -54.52 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.831 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.8 mm -62.1 -30.19 48.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 54.01 111.134 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.01 -52.88 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.412 ' N ' HD12 ' A' ' 47' ' ' ILE . 22.0 m170 -66.75 -53.68 30.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 51.31 110.821 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.46 -51.28 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.056 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -55.2 -51.85 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.12 110.898 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.62 -28.65 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.14 -54.78 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.455 ' HA ' HD21 ' A' ' 56' ' ' LEU . 12.5 pt-20 -56.12 -33.87 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 70.24 110.938 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.05 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 51.21 111.115 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.33 -49.19 15.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -67.03 -33.31 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 62.42 110.951 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -75.52 -50.33 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 70.44 110.86 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -32.26 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 42.14 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -95.64 -2.89 47.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.38 121.5 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.861 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.96 -20.11 27.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.848 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 170.08 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 55.52 110.862 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.46 -32.21 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.3 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -34.35 55.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.24 110.849 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.81 -31.37 61.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 63.21 110.883 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -70.19 -53.79 15.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.901 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.5 ptm -64.28 -42.61 96.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.922 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.54 -26.75 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 71.04 110.829 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -51.66 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 62.03 110.852 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' VAL . 6.5 ptt? -71.28 -42.36 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.882 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.37 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 61.5 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.6 tm-20 -78.74 -37.03 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.855 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -71.77 -37.85 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 53.44 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.757 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -77.09 -37.09 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.093 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.37 88.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.32 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLU . 14.5 p -77.18 -42.66 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.42 111.115 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 22.9 mmm -66.34 -52.89 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.864 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.23 -56.67 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.571 ' CG2' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -58.66 -23.98 60.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.129 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 4.4 t80 -71.34 -50.2 34.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.57 -23.39 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -49.01 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -41.01 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.6 pttp -71.44 -25.86 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.54 -39.9 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.888 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.01 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.136 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.65 -49.34 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 42.12 111.108 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.4 t -69.35 -25.34 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.095 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.068 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.92 0.391 . . . . 70.53 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -61.49 -22.91 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 43.02 111.093 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.67 -29.38 59.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.882 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -67.04 -50.63 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -73.79 -49.52 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.26 -51.3 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.916 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.79 -34.12 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.13 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -64.11 -45.29 89.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.84 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 71.51 112.495 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 74' ' ' VAL . 62.1 mt -77.74 -35.44 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 63.22 110.86 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 45' ' ' ILE . 8.8 tp -67.91 -43.33 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.493 ' NE2' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -70.98 -36.07 72.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.94 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.692 HG21 ' HB ' ' A' ' 74' ' ' VAL . 4.4 t -76.37 -59.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.42 111.144 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 45' ' ' ILE . 94.4 mt -50.43 -43.23 54.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -69.02 -31.3 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.919 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -48.39 81.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.835 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.649 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.8 tt -76.15 -34.85 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.168 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.96 -25.66 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 60.34 110.884 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -85.43 -30.31 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.149 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.67 -40.54 92.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.917 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.22 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 61.1 110.897 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.78 -7.57 66.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 65.45 112.552 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.13 -38.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 65.12 112.537 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.76 -60.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 71.54 110.854 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 t -66.94 -46.73 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.879 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -83.08 3.84 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.923 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.2 m -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 70.24 111.137 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.27 -36.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.14 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -46.59 32.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -54.23 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 71.14 110.864 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.673 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -59.58 -30.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.15 111.156 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -53.41 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.847 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.99 -29.86 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.131 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.6 m170 -71.75 -55.02 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.832 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.84 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 31.21 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -52.78 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.902 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.01 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 63.25 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.8 -51.29 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.834 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -53.55 -45.1 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 75.41 110.905 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.02 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 71.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.56 -49.08 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.099 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.37 -33.91 73.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.884 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -73.99 -41.2 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 70.23 110.885 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.56 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 52.33 111.083 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -91.42 -1.87 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.908 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -72.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.846 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.36 12.8 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 51.55 110.852 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -177.78 159.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 64.45 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -32.64 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.919 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.48 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 52.11 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.78 -31.19 59.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.3 -53.83 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 70.2 110.928 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -25.71 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 64.24 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.54 -33.02 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -75.22 -42.11 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.52 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -73.21 -38.43 66.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.934 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.83 -27.39 64.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.89 -49.98 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -38.04 79.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.692 ' HB ' HG21 ' A' ' 27' ' ' VAL . 32.4 m -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.131 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.27 82.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 53.53 111.098 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 77' ' ' MET . 14.5 p -77.42 -41.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.51 111.15 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 14.7 mmt -67.94 -52.18 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.906 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 27' ' ' VAL . 38.5 ttt180 -62.24 -35.35 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.894 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.79 -57.4 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.649 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.4 t -57.42 -23.96 52.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 63.44 111.162 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.03 -49.42 36.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 73.13 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.78 -23.2 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 -46.13 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 50.12 111.15 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -70.01 -38.29 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.601 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.81 -25.87 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.92 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.8 -41.45 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.32 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.136 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.01 -61.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 61.33 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.7 t -55.38 -31.32 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.119 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.101 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.865 0.365 . . . . 52.44 110.844 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.39 -22.32 63.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 54.23 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -53.73 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 40.53 111.091 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -55.16 -29.53 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.04 110.859 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -70.26 -50.89 35.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.34 77.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.22 111.102 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -47.59 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -54.84 -52.64 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 50.41 110.892 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.39 -43.62 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -57.83 -46.59 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 61.13 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.57 94.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 55.42 112.529 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.548 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.3 mt -69.69 -35.49 75.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 73.32 110.881 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 45' ' ' ILE . 4.1 tp -66.27 -38.64 88.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -70.52 -41.12 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.637 HG21 ' HB ' ' A' ' 74' ' ' VAL . 30.1 t -75.39 -57.0 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 54.43 111.088 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.3 mt -49.62 -45.1 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.55 110.968 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -69.46 -29.48 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.825 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.06 75.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.664 HD12 ' CG2' ' A' ' 80' ' ' THR . 9.6 tt -75.45 -34.63 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.165 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.88 -25.84 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.908 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -85.54 -30.18 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.134 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.68 -40.77 93.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -171.72 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.916 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.8 -7.32 66.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 71.34 112.451 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.29 -38.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 54.12 112.51 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.73 -60.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 51.12 110.875 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -47.16 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 70.23 110.9 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -83.09 3.84 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 32' ' ' ASN . 58.9 m -59.69 -61.47 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 71.54 111.148 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.34 -36.96 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.01 111.114 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -75.67 -46.03 33.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.875 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -54.44 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 52.14 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 25' ' ' LEU . 4.7 mm -59.88 -30.6 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.51 111.143 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -64.93 -54.11 35.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.864 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.31 -30.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' ILE . 11.5 m-70 -70.39 -53.6 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.29 97.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.052 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -53.42 39.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.88 -48.97 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 55.52 110.841 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -53.35 -52.4 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.1 tm-20 -53.48 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.873 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.49 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 -49.0 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.094 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.59 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -75.63 -47.85 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 52.53 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -38.08 83.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.119 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -86.21 -10.05 55.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 121.97 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.852 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -93.71 -18.28 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.858 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.36 169.54 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.824 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.52 -33.06 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.51 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.952 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -36.45 63.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 51.22 110.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.1 -52.41 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.928 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -39.5 94.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.834 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.81 -25.89 63.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.833 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 -51.33 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.839 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.612 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -71.3 -41.54 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 72.33 110.892 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.41 -28.14 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.887 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -60.53 -38.29 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.637 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.2 m -76.58 -35.94 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.13 111.104 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.89 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 77' ' ' MET . 14.6 p -77.3 -41.54 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 80' ' ' THR . 11.9 mmt -67.41 -50.85 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -62.85 -35.91 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.86 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.42 -57.05 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.664 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.68 -24.36 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.52 111.118 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.63 -47.99 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -79.19 -23.09 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 53.03 110.911 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -79.42 -45.16 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.093 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -72.11 -40.64 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.2 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.632 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.59 -25.73 63.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.915 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.94 96.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.83 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.7 72.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.102 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.57 -58.44 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.106 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 t -58.79 -30.28 67.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.115 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 70.41 111.086 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.936 0.398 . . . . 54.14 110.814 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -74.8 -22.17 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.51 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.55 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.32 111.103 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.0 -29.92 58.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -68.64 -51.14 45.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 62.21 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.92 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.3 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.857 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.44 -51.49 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.874 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.9 t -68.9 -44.08 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.88 -42.06 79.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.21 50.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.47 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.594 HD23 ' CG1' ' A' ' 74' ' ' VAL . 38.8 mt -65.62 -39.74 91.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.86 0.362 . . . . 74.25 110.932 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 45' ' ' ILE . 4.2 tp -68.59 -54.41 16.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.13 110.879 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -56.66 -37.6 71.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 74' ' ' VAL . 14.5 t -76.3 -59.48 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 24' ' ' LEU . 18.9 mt -52.19 -38.37 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 65.04 110.942 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -76.2 -25.45 55.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.5 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -49.66 68.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.905 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.521 HD12 HD23 ' A' ' 34' ' ' LEU . 6.2 tp -75.32 -34.12 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.32 111.122 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 m -86.79 -31.57 20.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 63.14 111.174 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -52.23 -40.29 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.913 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -175.92 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.42 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.23 -22.0 74.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 60.15 112.53 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.96 21.58 79.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 73.23 112.528 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -127.52 87.63 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 74.32 110.817 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 p -55.99 -22.78 28.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 71.53 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.09 12.12 6.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.839 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.51 -46.93 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.173 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.09 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 63.53 111.108 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.02 -46.63 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -54.43 45.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 25' ' ' LEU . 5.4 mm -62.23 -30.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.158 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -61.86 -53.18 59.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.877 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.9 -34.87 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 47' ' ' ILE . 12.9 m-70 -65.52 -53.34 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.871 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.73 85.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.51 -55.44 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.6 -36.27 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.29 -50.1 61.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.9 tm-20 -53.52 -45.96 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.46 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 63.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.97 -48.98 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 53' ' ' GLU . 2.8 pp -69.47 -31.97 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.02 110.896 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.24 -46.74 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.27 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.33 111.094 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -88.33 -9.86 51.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.92 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.71 121.09 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.835 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -22.72 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 53.54 110.87 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 172.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -51.83 -30.4 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.881 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -36.53 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.26 -30.99 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.89 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -71.2 -55.18 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 73.4 110.906 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -62.07 -42.2 98.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.866 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.99 -28.58 69.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.846 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -71.11 -55.46 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.893 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -68.09 -43.1 79.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 63.42 110.918 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 62.0 t30 -60.29 -28.51 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.863 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -77.91 -49.99 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.841 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -38.84 80.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 70' ' ' MET . 35.0 m -77.42 -34.51 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' ASN . . . -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 65.14 111.074 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 77' ' ' MET . 9.5 p -76.63 -43.62 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.41 111.131 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' THR . 21.0 mmt -65.37 -52.61 52.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.869 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.61 -33.71 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.67 -57.21 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 60.11 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 77' ' ' MET . 9.0 t -58.08 -23.83 56.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.092 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.525 ' O ' HD22 ' A' ' 34' ' ' LEU . 6.1 t80 -72.03 -50.05 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.23 110.931 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -72.29 -23.91 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.916 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -46.7 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 71.32 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.3 mtt85 -65.29 -33.54 76.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.838 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -80.21 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.71 -26.08 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.833 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -33.35 19.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.109 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.7 t -71.73 -30.28 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.05 111.128 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -30.05 64.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.41 111.193 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.107 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.885 0.374 . . . . 72.04 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.65 -22.77 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 52.2 110.894 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.19 85.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.25 111.084 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.75 -30.07 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.961 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -62.37 -50.66 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 71.2 110.859 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.07 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.062 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -48.05 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -53.65 -53.2 55.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.72 -37.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 62.51 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -58.4 -47.43 83.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 34.52 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -32.45 81.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.772 -0.727 . . . . 60.22 112.525 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 HG12 ' A' ' 74' ' ' VAL . 77.7 mt -77.24 -33.86 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 64.44 110.954 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.75 -42.95 80.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.869 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -36.38 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 74' ' ' VAL . 16.2 t -75.92 -58.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.11 111.127 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 45' ' ' ILE . 44.6 mt -51.26 -45.08 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 61.03 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -66.67 -31.8 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.883 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 80' ' ' THR . 6.6 tt -77.01 -34.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 52.52 111.134 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.637 ' CB ' HD11 ' A' ' 45' ' ' ILE . 9.2 t-20 -69.38 -25.95 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.902 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -85.56 -30.46 23.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 45.5 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -60.28 -39.33 86.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.877 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -174.42 26.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -105.08 7.23 43.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.497 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.79 -50.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.491 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 65.03 110.831 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 t -66.75 -48.4 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.55 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 3.69 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 61.4 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 45' ' ' ILE . 24.7 m -50.93 -57.4 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 64.33 111.138 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.38 -37.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.087 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.47 -45.74 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.885 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -61.36 -54.5 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.637 HD11 ' CB ' ' A' ' 32' ' ' ASN . 4.8 mm -61.89 -30.51 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.21 111.155 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.41 -52.88 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.882 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.56 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.34 111.121 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' ILE . 21.4 m170 -65.72 -53.8 35.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.831 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.2 -52.34 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 35.11 111.071 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.77 -48.69 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.05 -40.38 82.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.53 -55.46 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -46.54 82.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.842 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -30.05 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.2 -49.72 18.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 43.33 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 70' ' ' MET . 1.5 pp -70.3 -31.38 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.934 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.54 -51.64 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.838 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.74 74.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 60.32 111.072 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -94.91 -3.59 48.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.25 123.39 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.22 110.844 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -90.13 -22.86 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 62.12 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.51 172.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 53.4 110.896 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -51.95 -29.95 22.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.874 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -36.99 56.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.892 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -34.77 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 73.41 110.921 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -67.11 -54.64 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.919 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -33.26 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.887 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -61.92 -50.4 72.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.867 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.4 m -62.94 -40.04 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.909 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 24' ' ' LEU . 57.4 mmm -65.43 -53.52 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 62.34 110.837 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.51 -25.82 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.898 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.62 -55.3 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 62.15 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.78 -37.59 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.9 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 24' ' ' LEU . 21.8 m -77.54 -35.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.141 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.18 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.2 111.085 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 77' ' ' MET . 14.4 p -76.58 -40.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.148 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.44 ' HG3' HD23 ' A' ' 28' ' ' LEU . 20.3 mmt -71.5 -53.45 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.86 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -58.33 -41.04 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 64.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.01 -52.71 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.865 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.2 p -55.4 -25.88 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.179 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -75.47 -45.43 38.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 52.24 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -76.26 -23.5 54.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.63 -45.73 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 75.52 111.141 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.409 ' CB ' HD21 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -68.96 -32.41 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.825 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -81.33 -25.81 36.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.888 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.0 t-20 -57.74 -39.14 76.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 70.3 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -38.08 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.096 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.64 -46.38 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.132 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.0 t -74.31 -28.89 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.122 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 63.51 111.105 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.862 0.363 . . . . 74.41 110.877 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -72.07 -22.34 61.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.44 110.902 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.84 52.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.52 111.1 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.1 -29.62 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -70.13 -51.0 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.824 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.38 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.075 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -46.58 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.927 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -54.59 -48.86 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 71.04 110.913 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.08 -34.54 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.104 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -64.06 -44.31 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.96 -31.92 61.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.5 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 56.6 mt -77.59 -39.92 43.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.42 110.9 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.0 -40.76 87.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.05 110.956 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -70.57 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.929 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG21 ' HB ' ' A' ' 74' ' ' VAL . 12.3 t -74.55 -57.99 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 45' ' ' ILE . 84.6 mt -49.82 -47.57 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -65.96 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.86 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -53.81 53.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 53.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.451 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.3 tt -77.04 -34.66 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.137 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.534 ' CB ' HD11 ' A' ' 45' ' ' ILE . 1.1 t30 -64.12 -23.51 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.901 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 m -80.77 -29.26 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 81' ' ' TYR . 58.4 mt -62.09 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.935 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -162.49 19.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.836 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -85.49 -8.76 80.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.23 112.493 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.36 -43.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.75 . . . . 61.12 112.523 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 44.32 110.893 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -68.54 -46.66 68.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 54.43 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.78 2.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.852 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -50.47 -57.47 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.29 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.42 111.058 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -45.51 26.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.871 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.73 -54.4 43.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.87 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 25' ' ' LEU . 5.0 mm -62.34 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.64 -52.69 62.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.854 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.95 -35.36 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.461 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.1 m170 -64.87 -54.19 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.857 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.24 61.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -53.92 -53.73 48.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.892 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.84 -44.23 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.14 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -53.52 -45.55 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.888 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 64.22 111.119 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.32 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 54.11 111.085 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.45 -31.87 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.915 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -75.8 -47.28 26.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.882 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.82 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 65.43 111.126 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -86.99 -8.6 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.52 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 121.12 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 62.31 110.843 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -93.38 -16.84 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 62.22 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 168.51 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.88 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.44 -34.16 33.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 75.1 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.86 57.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.884 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -73.64 -35.51 65.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 74.23 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -65.79 -51.92 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.932 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -41.32 89.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.27 -30.2 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.84 -52.17 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.815 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.0 ptt? -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.864 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -68.56 -27.5 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 53.14 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.33 -50.04 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.52 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.85 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.04 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.556 HG12 HD23 ' A' ' 24' ' ' LEU . 33.3 m -77.25 -36.3 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.79 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.088 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.17 -42.66 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.119 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.1 mmt -67.38 -52.63 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.895 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 tmt_? -59.2 -40.81 86.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.867 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -59.86 -49.37 77.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -61.15 -24.39 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.53 111.069 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.468 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.36 -47.35 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 75.25 110.924 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 64.31 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -44.7 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 70.21 111.093 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.1 mtt-85 -67.01 -33.51 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.838 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.21 -25.85 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 70.31 110.87 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.99 -33.12 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 54.35 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.9 -30.8 21.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.13 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' ARG . 78.5 t -67.43 -47.84 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.138 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 85' ' ' LYS . 4.6 t -69.76 -27.54 65.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 62.32 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 61.41 111.054 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.893 0.378 . . . . 73.11 110.839 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.05 -22.25 58.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.01 110.87 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.12 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 62.42 111.102 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -55.06 -29.6 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.913 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.52 -50.99 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.884 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.95 85.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.092 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -44.43 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 62.31 110.919 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.56 -48.97 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.82 -39.03 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.108 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.884 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.88 81.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 71.33 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 74' ' ' VAL . 68.3 mt -68.1 -37.0 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 75.22 110.891 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -65.62 -53.48 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.92 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.96 -37.41 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 63.4 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.704 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.5 t -74.67 -60.34 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.53 111.126 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 45' ' ' ILE . 1.4 mm? -52.48 -45.46 66.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.928 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -64.53 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.31 110.86 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -48.62 77.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 75.35 110.849 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 14.4 tt -76.03 -34.85 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.14 111.112 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.679 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER -71.32 -26.11 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.887 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 m -85.74 -29.89 23.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 71.54 111.191 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.4 tp -60.95 -40.52 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -171.81 26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.64 -2.39 61.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.489 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.48 -42.93 1.27 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 63.41 112.471 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 71.32 110.838 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -67.12 -50.5 61.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.866 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.26 -6.04 59.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 71.43 110.849 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 32' ' ' ASN . 20.4 m -48.03 -60.07 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.133 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.47 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -44.16 82.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.82 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -45.81 90.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 63.13 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.628 HG22 HD12 ' A' ' 25' ' ' LEU . 3.3 mm -62.7 -29.97 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 61.02 111.115 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -68.59 -51.15 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.5 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.97 -27.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.168 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -75.76 -55.19 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.888 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.15 77.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.075 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.05 -49.02 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.54 110.945 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.05 110.874 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -55.85 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 70.32 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.33 -46.88 69.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.93 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.22 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.51 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 62.34 111.097 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 66' ' ' TYR . 1.1 pp -70.33 -31.57 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 55.2 110.954 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.37 -49.63 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 -34.23 77.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 44.31 111.091 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -91.1 -6.55 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.13 110.944 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.82 121.87 10.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 73.44 110.851 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.1 m -91.47 -19.12 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 54.14 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.2 170.68 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 62.23 110.838 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -51.62 -32.85 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.952 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -34.56 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.902 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.888 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' HD12 ' A' ' 56' ' ' LEU . 67.1 t80 -69.41 -52.68 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.5 110.92 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptm -64.32 -39.3 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.13 -31.03 71.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.881 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -71.35 -49.77 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.889 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . 9.1 ptm -70.78 -42.39 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.53 110.874 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -60.92 -31.23 70.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 70.12 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.0 tt0 -78.29 -37.64 44.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 51.43 110.879 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -37.82 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.704 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.8 m -77.69 -36.42 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 70.55 111.159 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.94 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.127 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 11.4 p -75.29 -42.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 28.7 mmt -68.19 -53.54 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.9 tmt_? -57.83 -39.68 78.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.878 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.76 -48.83 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -24.96 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 60.12 111.129 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.408 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.9 t80 -75.36 -47.39 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.883 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.22 -23.22 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 53.21 110.898 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.34 -44.34 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.12 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -69.5 -36.36 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.851 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.553 ' HB3' HD22 ' A' ' 34' ' ' LEU . 4.1 pttp -79.57 -25.92 41.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.63 -41.14 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.46 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.074 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.2 -50.3 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.117 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.9 t -69.68 -29.4 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.174 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.114 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.844 0.354 . . . . 71.35 110.873 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.81 -22.26 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.61 55.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -54.93 -29.74 57.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -69.15 -50.92 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.32 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.34 83.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 12.54 111.092 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -73.22 -47.13 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.894 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 56' ' ' LEU . 27.3 t30 -54.52 -52.36 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.18 -40.47 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 71.13 111.115 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 -39.16 57.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 61.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' CG1' ' A' ' 74' ' ' VAL . 53.4 mt -68.42 -40.68 81.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 71.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.37 -53.36 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.931 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.3 -38.45 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.906 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG21 ' HB ' ' A' ' 74' ' ' VAL . 11.0 t -75.34 -59.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.22 111.19 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 24' ' ' LEU . 16.9 mt -51.98 -41.14 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -73.64 -25.31 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 44.02 110.894 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -49.5 69.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.914 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.518 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.9 tt -73.99 -34.59 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.15 111.167 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -31.52 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.892 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -86.98 -31.57 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 75.33 111.128 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.4 tp -53.48 -40.13 65.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -175.39 25.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.92 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.61 -22.8 75.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 64.41 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.09 25.49 68.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 70.22 112.476 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.74 88.93 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 63.42 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 p -55.78 -29.39 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.11 110.826 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.17 11.94 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 45' ' ' ILE . 1.8 t -45.96 -49.07 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 71.54 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 41' ' ' THR . . . -44.13 -35.14 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 62.01 111.093 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.0 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 62.35 110.868 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -63.92 -33.89 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 41' ' ' THR . 17.4 mm -77.08 -31.89 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.09 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -66.31 -45.25 80.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.42 -34.06 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.101 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -73.11 -53.85 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.866 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.67 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.115 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -64.06 -55.91 18.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 73.24 110.912 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -59.01 -37.18 76.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.76 -49.59 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.9 tm-20 -53.18 -42.74 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.15 110.909 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -29.76 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.78 -48.86 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 55.23 111.075 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 57' ' ' PHE . 3.1 pp -67.91 -39.42 83.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.564 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.7 t80 -66.74 -44.09 82.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.841 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.08 66.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -83.63 -2.04 55.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 64.31 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -62.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 44.24 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.06 18.8 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.833 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -163.71 138.05 5.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.845 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -35.8 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 74.55 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.66 57.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.4 110.898 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.94 -31.26 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.07 -54.65 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 54.15 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.48 -27.91 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 54.43 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -53.2 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.876 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.6 ptt? -69.7 -43.74 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 71.34 110.886 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -60.8 -30.29 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.865 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.9 tt0 -77.69 -38.13 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.898 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -37.66 73.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.569 ' CG1' HD23 ' A' ' 24' ' ' LEU . 35.4 m -78.17 -35.72 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.02 111.136 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.93 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.129 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.23 -42.57 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.456 ' N ' HG13 ' A' ' 76' ' ' VAL . 24.7 mmt -68.6 -53.77 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.86 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 27' ' ' VAL . 14.7 ttt-85 -58.33 -40.79 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -60.07 -53.37 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.518 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.1 p -56.49 -25.41 51.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.52 111.146 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 t80 -75.22 -39.21 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 65.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -71.92 -22.88 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.3 110.908 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -43.58 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.24 111.138 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.578 ' CB ' HD21 ' A' ' 34' ' ' LEU . 3.3 mtt85 -68.24 -30.82 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HG22 ' A' ' 89' ' ' THR . 20.6 ptmt -78.61 -31.91 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.942 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.9 m-20 -58.63 -43.75 89.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.911 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.05 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 45.22 111.067 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 84' ' ' ARG . 87.8 t -71.36 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 72.12 111.104 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 85' ' ' LYS . 12.1 t -56.07 -29.32 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.116 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.071 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.869 0.366 . . . . 70.43 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -77.21 -21.6 53.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 53.31 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.36 -57.38 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.14 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.24 -30.84 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -69.7 -44.47 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.44 -34.68 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -74.79 -36.79 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.52 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -47.58 84.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.93 -43.78 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.082 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -62.22 -44.75 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 74.2 110.896 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -42.62 95.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 21.32 112.477 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 74' ' ' VAL . 27.5 mt -66.3 -32.71 74.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 75.11 110.917 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -55.24 14.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.959 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.84 -38.34 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 72.51 110.934 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 78' ' ' ARG . 14.1 t -74.71 -60.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 45' ' ' ILE . 79.7 mt -51.26 -46.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.936 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -65.51 -30.12 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.879 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.51 55.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.883 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.0 tt -75.91 -34.17 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.106 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.569 ' CB ' HD11 ' A' ' 45' ' ' ILE . 20.1 t-20 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.7 m -82.14 -29.62 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 64.41 111.154 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 81' ' ' TYR . 59.3 mt -61.11 -47.44 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.926 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -162.95 19.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.11 -3.17 73.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 74.11 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.97 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 62.43 112.532 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 74.24 110.894 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -48.11 67.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 62.1 110.871 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.86 0.11 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.867 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 45.7 m -52.36 -60.37 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.139 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.84 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.107 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.75 -48.14 23.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.832 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.2 mttt -61.83 -54.38 42.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.907 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 28' ' ' LEU . 5.7 mm -60.25 -30.21 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.34 111.111 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -64.23 -53.9 41.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.6 pp -76.77 -31.11 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.123 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -69.81 -54.89 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.58 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.09 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -52.57 64.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 62.04 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.19 -46.01 92.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.893 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.0 tm-20 -53.38 -45.51 69.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 60.1 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -29.87 70.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 50.45 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.5 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 73.41 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.3 pp -68.8 -36.14 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -71.09 -42.77 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.922 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.14 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 44.2 111.08 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -90.38 -1.92 57.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 70.42 110.869 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -71.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 60.51 110.838 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.82 15.48 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 65.44 110.858 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.13 148.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 70.52 110.905 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -42.45 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.34 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.57 59.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 61.35 110.888 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.11 -40.27 62.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 53.13 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.29 -48.51 79.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 74.03 110.898 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -70.59 -30.49 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 62.41 110.897 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.24 -32.35 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.868 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -74.54 -45.54 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.888 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.496 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -70.62 -36.0 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.847 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.75 -27.75 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.875 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 76' ' ' VAL . 36.0 mt-10 -77.54 -45.76 24.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.857 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.36 -37.57 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.899 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 24' ' ' LEU . 29.8 m -77.34 -35.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.139 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.63 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.079 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 77' ' ' MET . 11.1 p -76.07 -42.51 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 72.44 111.173 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 76' ' ' VAL . 12.7 mmt -67.71 -52.48 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 64.42 110.874 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' HG13 ' A' ' 27' ' ' VAL . 22.0 ttt-85 -59.08 -41.39 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.886 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.427 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -61.22 -24.37 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 75.31 111.115 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.73 -45.57 43.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.898 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.85 -23.47 64.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.23 -44.91 12.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.135 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -32.69 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.933 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -26.49 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.27 -30.21 49.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 64.31 110.876 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.64 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 62.22 111.107 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 -30.16 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.21 111.121 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -31.36 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 35.15 111.126 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 61.42 111.116 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.872 0.368 . . . . 72.21 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.38 -22.38 57.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.837 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.97 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.2 -29.5 58.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 70.13 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -70.32 -50.87 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.853 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.39 77.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 72.33 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -47.05 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.886 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.65 ' ND2' HD11 ' A' ' 56' ' ' LEU . 32.4 t30 -55.64 -52.99 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.902 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.4 -41.21 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.111 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.71 -40.91 96.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 62.32 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 74' ' ' VAL . 72.5 mt -71.79 -35.18 69.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 62.31 110.932 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 45' ' ' ILE . 13.0 tp -63.61 -43.71 96.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.892 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.65 -33.95 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' HB ' ' A' ' 74' ' ' VAL . 37.4 t -77.12 -60.24 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.138 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.1 mm? -50.46 -39.29 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.929 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -73.49 -29.53 62.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 42.32 110.878 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -49.81 74.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 50.23 110.864 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' HB2' ' A' ' 81' ' ' TYR . 2.0 pp -75.5 -33.33 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.161 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.571 ' CB ' HD11 ' A' ' 45' ' ' ILE . 10.7 t-20 -72.97 -25.16 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 44.55 110.9 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.1 m -84.61 -30.83 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 51.25 111.13 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.2 tp -59.55 -39.73 84.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -174.7 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.849 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -91.42 -8.43 64.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.758 -0.734 . . . . 42.25 112.504 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -44.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 61.23 112.476 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 65.13 110.833 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.88 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 60.33 110.907 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.64 6.76 19.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' ILE . 29.4 m -58.25 -61.31 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.01 111.095 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.7 -37.65 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 60.53 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.7 -47.36 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 61.04 110.861 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -61.66 -53.89 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.2 110.873 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.681 HG22 HD12 ' A' ' 25' ' ' LEU . 3.9 mm -60.8 -30.6 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.104 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -63.56 -53.52 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.97 -32.44 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.127 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.445 ' N ' HD12 ' A' ' 47' ' ' ILE . 10.2 m-70 -67.97 -54.66 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.877 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.84 79.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.113 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -55.32 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.01 -45.15 91.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.884 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.32 -54.41 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.02 110.868 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HA ' HD21 ' A' ' 56' ' ' LEU . 7.7 tm-20 -54.56 -45.51 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.116 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 75.25 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.65 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.6 pp -69.49 -31.98 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.14 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -75.46 -49.04 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.881 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.34 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 61.11 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -93.4 -2.13 55.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.41 110.882 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 121.97 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.873 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -84.4 -16.78 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 53.02 110.854 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.32 -177.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.877 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -61.16 -33.91 74.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.892 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -38.49 53.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 61.51 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -68.0 -31.0 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.894 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -72.74 -53.7 10.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.917 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -42.49 94.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.885 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.71 -25.88 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 60.1 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -73.57 -53.5 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -69.81 -41.86 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.911 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.408 ' HA ' HG22 ' A' ' 74' ' ' VAL . 10.0 t30 -62.93 -29.67 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 60.42 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.0 tt0 -78.79 -34.92 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.845 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -74.15 -33.75 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.14 110.86 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.801 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.1 m -77.59 -37.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.22 111.082 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.04 72.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 77' ' ' MET . 13.7 p -74.89 -42.19 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.113 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.46 ' N ' HG13 ' A' ' 76' ' ' VAL . 19.8 mmt -70.54 -55.54 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 ttt180 -55.23 -41.53 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.832 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.46 -51.61 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.79 ' HB2' HG22 ' A' ' 31' ' ' ILE . 2.2 t80 -76.82 -37.93 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.96 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.12 -22.75 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -54.26 4.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.114 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 88' ' ' VAL . 50.8 mtp180 -58.55 -41.88 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 71.31 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -25.96 68.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 65.22 110.884 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -31.03 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.889 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.61 -46.02 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.161 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 84' ' ' ARG . 91.3 t -63.23 -38.77 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -75.14 -29.65 60.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.53 111.19 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.51 111.085 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.891 0.376 . . . . 52.23 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.22 -22.21 64.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.03 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -53.21 59.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 63.54 111.113 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.1 -29.48 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.892 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -69.78 -50.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 70.31 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.02 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.126 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -75.5 -46.83 30.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.05 -52.99 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.852 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.64 -44.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.19 -49.13 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 71.3 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.89 95.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 71.3 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.7 mt -64.07 -37.08 86.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 75.32 110.897 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.87 -47.71 76.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.933 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' MET . 56.2 mm-40 -59.4 -40.16 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.909 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.719 HG21 ' HB ' ' A' ' 74' ' ' VAL . 35.2 t -74.33 -57.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.33 111.146 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 48' ' ' HIS . 3.6 mp -52.81 -44.9 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 51.2 110.883 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 16.9 ptt? -66.07 -30.79 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.916 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -49.14 75.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.11 110.894 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 80' ' ' THR . 10.6 tt -75.64 -34.39 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.42 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.707 ' HB3' HG23 ' A' ' 41' ' ' THR . 4.7 t-20 -71.79 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.911 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 m -85.5 -29.98 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.157 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.1 tp -60.78 -41.3 95.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -170.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.912 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.22 -2.25 60.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.508 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.47 -41.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.474 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.75 -61.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 71.44 110.86 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -67.76 -50.13 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.53 2.94 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 60.44 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 32' ' ' ASN . 26.2 m -55.29 -62.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.131 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.77 -33.95 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.077 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.0 -51.21 26.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -64.11 -40.1 95.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp -64.4 -31.78 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.172 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -70.88 -49.95 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.823 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.59 -31.83 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.122 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' HD21 ' A' ' 28' ' ' LEU . 3.4 t-160 -74.33 -56.2 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.884 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.05 -36.52 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 63.3 111.084 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -74.41 -49.43 22.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.4 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.28 -50.09 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 65.04 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' HD2' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.58 -46.51 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 60.45 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.586 ' OE1' HD11 ' A' ' 56' ' ' LEU . 6.9 tp10 -52.79 -46.05 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.861 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.48 -29.89 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 51.14 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.58 -49.34 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.02 111.101 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.1 pp -69.2 -35.88 76.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.876 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -70.99 -47.6 57.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.832 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.61 -30.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 43.54 111.082 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.81 -1.49 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -68.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 54.05 110.877 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 15.69 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 44.12 110.851 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -176.13 145.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.876 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.88 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.906 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -43.96 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.72 -31.13 59.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.86 -57.01 9.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -39.26 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 61.12 110.892 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.88 -30.39 71.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 m -73.6 -52.95 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.866 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.539 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -67.56 -27.16 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.887 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -74.97 -31.59 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.32 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -77.93 -34.95 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.891 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.4 -36.41 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.719 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.3 m -76.94 -37.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.09 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.19 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.08 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 77' ' ' MET . 14.8 p -77.6 -42.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 63.41 111.136 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 80' ' ' THR . 31.5 mmt -67.89 -52.23 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.864 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' HG13 ' A' ' 27' ' ' VAL . 34.0 ttt180 -61.8 -35.52 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -62.8 -57.62 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 71.02 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.651 HG23 HD12 ' A' ' 31' ' ' ILE . 9.0 t -56.63 -24.08 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 55.43 111.163 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.29 -49.56 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -76.71 -23.4 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.878 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -80.62 -46.95 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.13 111.147 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.49 -36.46 78.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.607 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.72 -25.93 57.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.921 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -46.44 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.877 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.74 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 51.34 111.101 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.89 -61.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 45.34 111.123 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -57.59 -28.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.53 111.104 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.108 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.908 0.385 . . . . 55.32 110.871 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -76.83 -21.99 54.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 63.13 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.74 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.054 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -54.8 -29.86 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.881 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -69.36 -51.03 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.833 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.66 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.01 111.103 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -73.27 -45.25 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -54.23 -52.91 59.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.852 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.36 -35.9 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.163 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -63.89 -39.6 94.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 71.04 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.97 -32.64 52.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.484 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -74.3 -41.75 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 73.14 110.873 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.96 -51.93 34.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.14 110.893 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.36 -36.77 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.941 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 78' ' ' ARG . 12.4 t -77.3 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.155 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 24' ' ' LEU . 12.7 mt -52.18 -39.18 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.94 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -75.06 -26.65 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.892 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -48.9 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.53 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 80' ' ' THR . 3.8 tp -75.0 -34.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.24 111.147 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.1 -32.76 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.89 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -87.17 -31.95 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.141 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.3 tp -52.89 -40.06 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.936 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -175.86 26.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.925 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.46 75.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 71.4 112.477 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.4 78.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 53.51 112.517 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -127.99 88.04 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 73.22 110.831 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -24.33 37.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.871 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.11 12.03 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.9 t -44.66 -46.97 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.13 111.172 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 41' ' ' THR . . . -45.85 -39.2 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 55.15 111.094 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -46.79 24.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 61.24 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -54.7 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 45' ' ' ILE . 5.7 mm -61.5 -30.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 63.11 111.136 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -53.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 62.53 110.853 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.39 -33.95 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.13 111.138 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 47' ' ' ILE . 16.2 m170 -66.59 -53.77 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.82 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.01 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 45.32 111.104 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -55.57 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 64.44 110.881 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.35 -35.35 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.898 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.38 -50.87 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.691 ' OE1' HD11 ' A' ' 56' ' ' LEU . 9.0 tp10 -52.75 -42.53 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -29.73 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.15 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.06 -49.39 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.41 111.119 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.691 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.9 pp -67.27 -40.74 86.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 9.7 t80 -66.28 -44.35 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.898 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.48 -38.78 71.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.11 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -84.82 -1.57 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -65.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 64.23 110.871 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.86 15.64 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.4 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 131.45 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.913 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -51.96 -34.33 41.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -50.69 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.922 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -59.38 -29.83 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -73.89 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 71.55 110.932 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 45.31 110.843 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -64.51 -29.47 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -70.33 -56.89 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 42.01 110.874 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 62.34 110.875 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.3 tt0 -78.18 -37.68 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -37.68 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.876 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD23 ' A' ' 24' ' ' LEU . 33.9 m -77.71 -36.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 74.15 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.03 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 44.02 111.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 12.1 p -76.66 -42.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.114 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 13.1 mmt -67.67 -53.35 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.45 110.89 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 11.0 ttt180 -60.09 -36.5 77.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.13 -56.14 21.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.44 HG23 HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -56.78 -23.76 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.103 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.406 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.0 t80 -74.05 -48.05 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.919 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -70.93 -23.34 62.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -46.02 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 51.35 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.1 mtt180 -65.59 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.911 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -25.84 34.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.891 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.33 -26.04 63.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 51.15 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.1 -35.15 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 73.21 111.109 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.9 t -69.22 -30.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.143 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -29.19 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 75.51 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.099 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.868 0.366 . . . . 54.41 110.901 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -22.29 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.3 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.05 111.103 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.98 -29.51 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.885 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.6 mtt180 -71.93 -39.78 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.51 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.77 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 70.13 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.882 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -33.44 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 65.33 110.877 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 17' ' ' ARG . 37.3 t -71.63 -47.32 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.33 -45.56 76.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.86 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.04 -45.18 89.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 71.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 74' ' ' VAL . 57.5 mt -65.54 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 61.41 110.891 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.84 -51.65 60.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 74.01 110.885 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.41 -36.89 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.741 HG21 ' HB ' ' A' ' 74' ' ' VAL . 40.0 t -74.36 -60.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.159 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.0 mm? -48.9 -46.68 43.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.896 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -65.22 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.12 110.872 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -50.12 75.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.881 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 27' ' ' VAL . 1.1 mp -75.68 -43.41 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.5 t-20 -61.3 -25.42 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 74.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -84.22 -30.49 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 75.15 111.098 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.7 tp -60.56 -39.71 88.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 51.12 110.925 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.89 26.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -101.65 1.38 52.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 60.3 112.437 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.12 -43.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 63.31 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER 75.3 -60.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 73.44 110.871 -179.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -40.07 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 51.51 110.87 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.61 10.12 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 61.45 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 38' ' ' SER . 46.8 p -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.098 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.77 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 63.33 111.056 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -51.36 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.856 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.408 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.8 mttm -62.55 -45.51 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' CG2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.8 -31.47 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.23 111.157 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -50.36 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 61.14 110.882 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.19 -33.63 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 70.1 111.118 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.485 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.4 m-70 -69.43 -55.17 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.875 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.96 95.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.099 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.9 -55.37 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.835 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.39 -48.97 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.51 110.858 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -54.42 -51.28 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.876 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -53.53 -45.86 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.902 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.57 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.53 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.33 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 44.02 111.094 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.76 -31.73 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 55.41 110.938 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -75.68 -49.06 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.946 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.65 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 62.11 111.143 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -89.04 -9.99 49.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 54.52 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 121.58 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.832 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -87.44 -18.77 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.841 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.4 170.25 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.869 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -51.4 -33.94 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 45.32 110.907 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -33.28 57.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -31.6 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 64.23 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -70.45 -53.15 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.923 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -64.23 -42.04 96.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.13 -25.49 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -73.16 -51.53 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.64 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.37 -41.92 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.874 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.89 -31.53 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -79.83 -31.9 40.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 73.02 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -36.91 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.891 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.741 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.5 m -75.91 -39.22 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.139 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.24 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 51.34 111.093 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.56 -37.92 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.136 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.49 ' HB2' HG11 ' A' ' 27' ' ' VAL . 3.3 mmt -70.96 -54.78 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 62.33 110.899 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.618 ' HB3' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -58.34 -33.92 70.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.87 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -68.22 -43.07 78.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -27.68 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.55 111.193 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.73 25.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.24 -23.44 62.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 62.3 110.898 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.5 -46.59 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.05 111.153 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 88' ' ' VAL . 16.1 mtt85 -63.96 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.503 ' O ' HG22 ' A' ' 89' ' ' THR . 0.1 OUTLIER -78.71 -25.95 44.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 60.21 110.887 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.49 -35.21 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.923 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.35 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 64.44 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.6 t -62.89 -47.06 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.085 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 85' ' ' LYS . 11.1 t -67.57 -29.77 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.172 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.072 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.762 HG12 ' HG3' ' A' ' 7' ' ' GLN . 19.2 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.777 0.322 . . . . 72.23 111.101 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.762 ' HG3' HG12 ' A' ' 6' ' ' VAL . 47.1 mt-30 -146.81 -44.08 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 73.13 110.922 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 11' ' ' THR . 7.2 m-20 -113.36 -30.06 7.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 64.33 110.829 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.694 ' CE ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -78.82 -27.82 44.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 64.23 110.884 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -84.2 -23.54 30.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.878 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 8' ' ' ASP . 12.5 t -94.3 11.28 30.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 72.01 111.095 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD22 ' CD ' ' A' ' 16' ' ' GLU . 85.6 mt -61.04 155.06 21.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.917 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.1 -175.47 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.888 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.66 -22.17 56.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.04 110.85 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -54.12 47.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.21 111.104 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.738 ' CD ' HD22 ' A' ' 12' ' ' LEU . 21.8 mt-10 -54.81 -29.81 55.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.33 110.91 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 51.6 mtt-85 -69.88 -51.0 36.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.32 110.839 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.3 77.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 74.05 111.1 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -75.22 -47.41 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.882 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.615 ' ND2' HD11 ' A' ' 56' ' ' LEU . 46.4 t30 -54.74 -51.78 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.41 110.859 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.69 -46.76 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.14 111.135 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -55.42 -47.43 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 53.32 110.851 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.23 -45.02 84.41 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.737 . . . . 61.15 112.485 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.631 HD23 ' CG1' ' A' ' 74' ' ' VAL . 39.0 mt -62.57 -40.9 98.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.856 0.36 . . . . 75.03 110.907 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' HG21 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -62.33 -49.37 75.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 72.52 110.918 179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -41.97 76.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 71.12 110.896 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.623 HG21 ' HB ' ' A' ' 74' ' ' VAL . 15.9 t -74.13 -59.39 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.22 111.113 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.677 ' HB3' HD12 ' A' ' 45' ' ' ILE . 5.8 mp -50.23 -47.04 55.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 61.22 110.913 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.27 -30.06 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 65.14 110.906 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -50.24 72.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 63.13 110.847 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 11.3 tt -76.04 -34.42 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.05 111.128 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.722 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.7 t-20 -70.5 -26.43 63.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.87 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -86.06 -30.24 22.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 72.03 111.19 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.599 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.39 -39.95 89.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 51.35 110.917 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -172.83 26.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 53.21 110.886 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.34 1.72 57.42 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 72.41 112.509 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.72 -46.44 1.02 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.747 . . . . 62.45 112.501 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m 73.97 -63.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.928 0.394 . . . . 50.43 110.88 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.6 m -68.1 -49.44 61.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.095 -0.502 . . . . 63.43 110.86 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -82.6 -0.52 47.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 73.42 110.884 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 ' O ' HG12 ' A' ' 45' ' ' ILE . 28.7 m -51.39 -56.55 12.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 65.11 111.099 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.44 -37.39 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 42.4 111.088 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.96 -43.83 33.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 52.53 110.87 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -62.89 -54.49 37.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 72.41 110.866 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.722 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -62.31 -30.73 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 72.43 111.165 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -62.66 -53.84 48.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.864 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -76.47 -35.83 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 74.41 111.111 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.48 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -64.47 -53.69 44.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 74.14 110.83 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.08 -51.84 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 72.34 111.068 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -49.18 74.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 60.32 110.892 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -65.86 -32.67 74.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.42 110.905 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.26 -54.76 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 55.32 110.866 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.438 ' HA ' HD21 ' A' ' 56' ' ' LEU . 13.0 pt-20 -57.11 -33.33 67.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 71.05 110.872 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.23 -30.16 62.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.32 111.106 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.13 -49.1 15.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 74.12 111.1 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.615 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.3 pp -67.17 -33.1 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.939 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -75.8 -51.0 13.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.463 . . . . 71.52 110.915 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.2 -33.38 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.96 -8.04 44.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.5 122.62 10.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 65.1 110.891 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 -18.98 22.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 52.35 110.849 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.5 170.22 2.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -32.99 28.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.923 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.03 57.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.917 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.51 -32.22 62.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.898 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -69.33 -52.61 25.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.876 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -62.61 -41.25 98.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 72.35 110.887 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -68.24 -27.75 66.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 62.42 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.2 m -70.37 -54.8 10.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.487 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -67.99 -43.15 79.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 64.33 110.905 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -59.51 -29.89 68.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.51 110.861 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' O ' HG12 ' A' ' 76' ' ' VAL . 42.5 mt-10 -78.0 -41.86 34.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 64.31 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -37.28 85.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 70.41 110.901 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.631 ' CG1' HD23 ' A' ' 24' ' ' LEU . 36.0 m -77.31 -36.78 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 54.31 111.131 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.77 91.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.11 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 77' ' ' MET . 12.7 p -76.16 -42.46 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.34 111.159 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.469 ' N ' HG13 ' A' ' 76' ' ' VAL . 3.6 mmt -67.56 -52.66 36.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 72.13 110.872 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' VAL . 25.9 ttt85 -59.24 -39.74 83.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 74.05 110.84 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -61.21 -46.41 90.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 63.52 110.903 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.17 -24.52 67.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 65.4 111.127 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.0 t80 -74.89 -46.39 36.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.938 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -78.96 -23.24 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 41.15 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.5 m -81.3 -41.8 21.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 54.54 111.147 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -73.59 -38.99 64.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 65.01 110.838 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.599 ' HB3' HD22 ' A' ' 34' ' ' LEU . 2.8 pttp -76.66 -25.67 53.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 71.11 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -53.0 -47.86 67.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.883 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.14 -36.46 79.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 73.35 111.137 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.94 -45.54 98.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.23 111.165 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -77.08 -31.23 55.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 62.22 111.119 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 73.42 111.096 179.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.78 0.324 . . . . 75.53 111.13 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -149.18 -45.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.907 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.535 ' HA ' HG22 ' A' ' 11' ' ' THR . 3.1 m-20 -122.29 -27.41 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 63.51 110.851 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -27.99 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 63.12 110.841 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.84 -21.05 32.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.52 110.868 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.1 t -99.98 21.54 12.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 72.24 111.18 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.41 140.8 58.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 71.43 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.23 173.53 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.834 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -72.46 -22.27 61.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 54.01 110.889 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.25 59.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 51.42 111.114 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -55.15 -29.6 58.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.13 110.852 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -69.86 -51.27 34.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 63.35 110.853 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.3 78.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 74.33 111.106 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -75.46 -46.93 29.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.44 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.72 -47.7 73.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 54.14 110.882 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -72.39 -34.19 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 64.11 111.131 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -64.25 -45.08 89.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.869 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.94 -32.04 61.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 63.32 112.521 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD23 HG12 ' A' ' 74' ' ' VAL . 55.1 mt -77.3 -39.87 46.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 72.54 110.883 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.28 -39.5 86.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 54.34 110.915 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -71.01 -39.5 72.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.933 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.3 t -75.85 -57.01 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 72.45 111.145 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.504 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.9 mt -50.5 -43.7 55.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 35.1 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.5 ptt? -69.49 -30.74 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.86 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.59 -49.14 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 73.41 110.835 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.65 HD12 ' CG2' ' A' ' 80' ' ' THR . 8.3 tt -76.29 -34.79 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.14 111.135 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 7.3 t-20 -69.83 -26.02 64.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.909 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 70.8 m -85.69 -30.49 23.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 65.35 111.08 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.21 -39.8 87.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 74.12 110.9 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -173.74 26.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.93 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.06 -3.72 61.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 74.45 112.489 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.51 -42.62 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 63.14 112.487 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.65 -61.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 61.23 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.4 p -67.97 -49.47 61.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 33.13 110.869 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -2.03 42.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 54.1 m -51.55 -59.47 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 55.11 111.136 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.59 -37.97 3.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 62.23 111.067 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.73 -45.39 36.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 64.52 110.874 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -62.87 -54.73 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.777 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -60.61 -30.2 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 74.13 111.158 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.2 -52.98 56.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.44 110.892 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.41 -30.74 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 71.31 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.509 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.8 m170 -70.0 -54.17 14.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.861 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -49.21 76.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 70.55 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -55.52 33.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.91 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -58.39 -46.24 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 44.35 110.859 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -53.71 -53.87 46.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 63.11 110.882 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -53.56 -45.6 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 71.32 110.897 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.52 -29.98 70.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 51.4 111.081 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.71 -49.37 18.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 62.22 111.11 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.26 -31.95 70.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.883 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -75.64 -48.82 20.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.54 110.887 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.62 -33.77 75.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 75.34 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -92.62 -2.34 56.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 74.43 110.89 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.73 120.45 10.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 60.32 110.845 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 60.5 m -87.73 -15.48 36.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 74.21 110.859 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.28 -174.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 64.11 110.828 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -63.62 -33.66 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 40.04 110.896 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -41.65 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.03 110.927 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -64.85 -31.93 73.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.6 -51.66 22.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 65.34 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -67.77 -40.59 84.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 62.2 110.894 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -64.64 -30.32 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 65.22 110.852 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.1 m -73.7 -50.56 20.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 75.03 110.857 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.514 ' O ' HG13 ' A' ' 74' ' ' VAL . 6.9 ptt? -69.04 -34.76 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 71.2 110.866 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -70.17 -27.53 64.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 75.1 110.905 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.407 ' O ' HG12 ' A' ' 76' ' ' VAL . 11.1 tt0 -78.21 -49.35 13.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.891 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.05 -37.74 80.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.892 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.576 HG12 HD23 ' A' ' 24' ' ' LEU . 31.6 m -76.86 -34.87 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 73.33 111.148 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.02 -37.25 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.35 111.095 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 77' ' ' MET . 14.1 p -77.68 -41.35 28.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 74.44 111.151 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 4.6 mmt -67.76 -52.22 39.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 75.35 110.904 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -62.31 -35.38 78.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 74.13 110.905 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -62.52 -57.39 11.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.879 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.65 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.6 -24.14 54.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 72.3 111.121 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -71.56 -49.44 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.923 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -77.91 -23.4 48.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 72.31 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.7 m -79.95 -46.49 16.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.54 111.18 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -70.11 -37.52 75.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.864 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -74.63 -25.96 59.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 63.23 110.888 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 -42.55 85.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.873 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.46 -33.28 71.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.1 111.121 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 97.2 t -67.47 -52.02 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 72.33 111.117 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.419 HG22 ' O ' ' A' ' 85' ' ' LYS . 9.4 t -68.04 -26.88 66.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 62.12 111.107 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.4 111.086 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.752 0.31 . . . . 62.21 111.099 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 179.09 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.882 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.746 ' O ' HG22 ' A' ' 11' ' ' THR . 68.8 m-20 -51.1 -41.08 59.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 65.4 110.848 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.684 ' HA ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -50.12 -27.1 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.926 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.94 -24.7 6.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 65.13 110.906 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.746 HG22 ' O ' ' A' ' 8' ' ' ASP . 7.7 t -101.42 -18.34 16.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.2 111.132 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.684 HD13 ' HA ' ' A' ' 9' ' ' LYS . 6.7 mp -76.34 79.8 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 45.04 110.96 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.16 -170.27 1.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 61.42 110.894 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -60.53 -22.33 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 61.11 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.94 -52.32 65.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 73.43 111.102 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -55.29 -29.53 58.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.44 110.894 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -68.88 -50.68 47.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 71.25 110.886 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.93 -36.59 84.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 45.43 111.104 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -73.59 -46.67 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 73.2 110.852 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -54.54 -51.74 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 72.15 110.889 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.2 t -62.1 -48.68 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.139 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.87 -48.26 67.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.844 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.45 -43.47 96.66 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 71.54 112.466 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.572 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -66.15 -31.66 72.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 43.03 110.899 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -67.71 -52.33 38.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.95 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.08 -38.98 80.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 74.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.605 HG21 ' HB ' ' A' ' 74' ' ' VAL . 18.0 t -74.45 -59.38 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 61.34 111.099 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -51.35 -46.13 62.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 72.31 110.921 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -65.81 -30.07 70.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 63.31 110.906 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.77 -51.52 66.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.02 110.858 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.545 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.0 tt -75.55 -34.72 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 73.02 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.653 ' HB3' HG23 ' A' ' 41' ' ' THR . 9.5 t-20 -69.63 -27.12 64.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 71.22 110.873 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.5 m -86.69 -30.32 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 61.31 111.115 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' O ' HD12 ' A' ' 34' ' ' LEU . 2.4 tp -60.47 -39.68 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 63.54 110.89 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -172.78 26.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 72.32 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -103.26 5.64 49.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 71.43 112.475 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.39 -45.44 1.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.676 -0.773 . . . . 70.42 112.507 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.16 -61.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 72.32 110.858 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.7 m -68.07 -49.32 62.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 53.12 110.849 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -80.52 -4.71 54.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.101 -0.499 . . . . 70.22 110.85 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.653 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.3 m -51.26 -39.03 55.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 52.22 111.106 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 62.12 111.125 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.65 -41.06 61.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 72.14 110.864 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -48.92 63.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -63.04 -31.46 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.52 111.198 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -67.66 -51.87 44.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.35 110.869 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.51 -32.94 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 73.2 111.139 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' N ' HD12 ' A' ' 47' ' ' ILE . 15.0 m-70 -70.87 -54.11 12.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.25 110.86 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.57 -38.08 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 61.33 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -53.27 11.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 71.41 110.861 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -57.65 -49.86 75.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 71.42 110.911 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -58.99 -51.93 67.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.14 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -53.54 -45.18 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.495 . . . . 62.45 110.885 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -30.32 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 70.12 111.092 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.43 -48.64 21.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 72.14 111.066 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -70.52 -31.87 69.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.43 110.921 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -75.71 -49.79 17.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 60.14 110.872 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.69 78.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.071 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -92.28 -2.17 56.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.98 123.05 15.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 53.4 110.829 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 t -99.86 -19.43 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 65.03 110.882 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.36 174.32 1.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 65.4 110.874 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -28.95 21.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.923 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.79 -52.45 9.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.902 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -34.22 74.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.916 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -74.54 -55.72 5.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.24 110.935 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.39 -49.25 78.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -61.19 -30.39 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.02 -57.49 7.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.815 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.649 ' O ' HG22 ' A' ' 74' ' ' VAL . 3.8 ptt? -67.98 -43.21 79.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 73.33 110.885 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -59.2 -28.63 66.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 42.42 110.875 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -78.63 -49.81 12.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 75.03 110.859 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.99 -38.58 79.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 65.42 110.884 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 70' ' ' MET . 30.7 m -76.82 -36.09 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.16 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.67 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 32.33 111.085 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.448 HG13 ' N ' ' A' ' 77' ' ' MET . 11.7 p -76.95 -41.71 31.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.129 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.448 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.8 mmt -67.97 -53.11 28.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.53 110.904 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.1 tmt_? -59.92 -39.35 85.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 75.01 110.845 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -61.24 -46.53 89.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 75.42 110.859 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.545 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -63.64 -24.59 67.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.21 111.146 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -74.13 -46.68 41.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.899 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -79.75 -23.25 42.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.878 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 m -80.46 -42.36 22.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 60.21 111.13 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -74.66 -36.2 62.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 73.21 110.895 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.499 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -77.16 -25.82 52.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 65.22 110.901 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.45 -45.42 80.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 54.21 110.891 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.86 -31.54 69.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 60.21 111.121 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.04 -60.56 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 70.34 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.1 t -56.71 -31.99 65.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 70.43 111.123 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 63.13 111.083 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.826 0.346 . . . . 72.43 111.115 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -179.82 -49.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.898 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.711 ' O ' HG22 ' A' ' 11' ' ' THR . 1.2 m-20 -72.12 -30.86 65.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.881 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' HD2' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -51.6 -26.56 9.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 72.23 110.908 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.9 -24.03 35.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 44.02 110.866 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 8' ' ' ASP . 5.5 t -82.4 -24.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 50.31 111.124 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.543 HD11 ' HD2' ' A' ' 9' ' ' LYS . 1.8 pp -114.08 110.66 20.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 55.24 110.915 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -170.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -58.42 -22.44 54.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.93 87.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 64.34 111.046 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -54.91 -28.58 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 73.53 110.862 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -65.13 -50.75 64.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.89 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.4 -44.6 94.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 73.33 111.068 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.75 -46.43 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 72.24 110.93 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -53.93 -45.23 71.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 72.41 110.908 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.23 -36.66 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 43.32 111.142 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.38 -46.31 89.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.897 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.94 -29.36 69.21 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 43.51 112.465 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 46.1 mt -77.21 -40.1 46.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.871 0.367 . . . . 75.15 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 45' ' ' ILE . 1.6 tp -67.2 -39.62 86.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 71.34 110.867 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -71.01 -39.29 72.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 53.13 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' A' ' 74' ' ' VAL . 15.0 t -75.91 -56.9 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 52.2 111.141 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.714 ' HB3' HD12 ' A' ' 45' ' ' ILE . 48.1 mt -50.76 -44.03 58.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.88 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -69.74 -29.62 67.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.87 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.79 -50.1 74.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.14 110.883 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.422 HD13 HG23 ' A' ' 80' ' ' THR . 5.7 tp -77.11 -34.21 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.13 111.111 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.538 ' CB ' HD11 ' A' ' 45' ' ' ILE . 12.5 t-20 -70.47 -26.55 63.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.885 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.9 m -86.06 -30.9 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 54.14 111.118 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -59.63 -39.09 83.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 64.44 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -174.5 26.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 72.25 110.872 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -102.07 4.82 52.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 52.12 112.487 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.57 -47.41 1.0 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 65.24 112.502 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 73.9 -62.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.894 0.378 . . . . 63.44 110.847 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.0 p -68.12 -49.17 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 71.53 110.86 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -82.73 2.13 35.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 73.25 110.917 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.475 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.2 m -57.91 -59.24 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.32 111.176 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.49 -37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 71.02 111.119 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -46.79 24.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.855 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -60.95 -54.31 46.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.87 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.714 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.6 mm -61.91 -30.59 48.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 71.24 111.126 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -62.34 -53.29 57.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 61.22 110.831 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.74 -35.15 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 64.33 111.131 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.451 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.3 m170 -65.04 -54.61 27.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.853 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.5 -52.37 63.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.141 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -54.0 -50.93 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 71.55 110.881 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.83 -44.34 93.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 74.22 110.904 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.07 -54.54 43.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 64.41 110.891 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' HA ' HD21 ' A' ' 56' ' ' LEU . 10.8 tp10 -54.59 -45.79 73.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.03 110.856 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.88 -30.12 70.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 54.34 111.123 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -48.8 19.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 72.43 111.096 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.6 pp -70.16 -32.2 70.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 70.5 110.876 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -75.34 -49.2 19.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.898 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.05 76.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 63.22 111.096 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -93.49 -3.7 52.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.86 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.18 121.75 9.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 73.22 110.9 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -92.94 -20.04 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.25 110.851 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.62 168.28 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 53.25 110.853 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.89 -29.47 20.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 64.12 110.895 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -36.72 55.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 73.31 110.925 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.97 -31.36 58.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.865 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -73.2 -54.31 8.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.905 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -61.89 -37.12 83.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 61.4 110.897 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -70.73 -25.98 63.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 71.12 110.87 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -73.79 -49.8 23.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 51.33 110.858 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.603 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 ppp? -72.37 -41.94 65.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 74.55 110.927 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -63.87 -28.01 69.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 72.52 110.83 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 76' ' ' VAL . 50.1 tt0 -78.56 -49.12 13.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.13 110.918 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -37.99 81.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.917 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 70' ' ' MET . 34.4 m -77.2 -35.7 23.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 60.32 111.096 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.5 -38.99 88.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.116 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 77' ' ' MET . 11.9 p -77.53 -42.7 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 70.41 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.474 ' O ' HG22 ' A' ' 80' ' ' THR . 30.2 mmt -66.87 -51.88 50.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 73.25 110.885 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.5 -34.99 77.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 70.24 110.879 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -62.45 -56.58 16.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.873 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -58.58 -24.09 60.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.54 111.174 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 3.7 t80 -71.23 -48.96 48.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 71.44 110.919 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -79.9 -23.0 42.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 65.44 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 m -79.57 -43.08 23.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 75.34 111.184 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.417 ' HB2' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -74.56 -38.15 62.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 74.45 110.908 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.562 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.15 -25.9 58.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.925 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.73 -44.46 81.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.03 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.11 79.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 74.4 111.12 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.2 t -69.35 -54.63 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 61.3 111.092 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.1 t -62.36 -30.86 71.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.124 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 74.22 111.111 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.754 0.311 . . . . 60.01 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -150.69 -44.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 52.22 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -114.15 -30.91 6.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 64.14 110.878 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -30.3 43.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 71.34 110.886 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -75.65 -23.8 56.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 73.05 110.884 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.38 11.7 22.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.42 111.148 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.9 mt -61.4 141.38 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 61.44 110.958 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.01 170.65 8.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 62.02 110.873 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -72.57 -22.25 61.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.877 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.53 69.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 61.23 111.095 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -54.96 -29.88 57.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 63.22 110.866 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 35.0 mtm180 -67.5 -50.86 56.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.67 -34.17 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 75.42 111.085 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.27 -48.78 31.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 73.14 110.925 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -54.41 -49.5 69.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 72.22 110.915 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.3 -49.91 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.02 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -54.2 -48.29 71.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -44.39 94.87 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 73.42 112.49 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.58 HD23 ' CG1' ' A' ' 74' ' ' VAL . 41.9 mt -63.56 -38.84 92.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 73.52 110.927 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 45' ' ' ILE . 0.7 OUTLIER -62.42 -52.37 63.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.4 110.934 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -40.48 73.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.947 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.663 HG21 ' HB ' ' A' ' 74' ' ' VAL . 23.5 t -73.03 -60.85 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 73.05 111.107 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.2 mm? -50.74 -48.21 59.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 65.51 110.959 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.0 ptt? -62.87 -29.92 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.887 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -53.48 53.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 72.34 110.853 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.9 tt -76.12 -34.2 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.22 111.095 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.558 ' CB ' HD11 ' A' ' 45' ' ' ILE . 1.0 OUTLIER -64.6 -23.36 67.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.857 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.0 m -80.78 -29.39 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.139 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD11 ' O ' ' A' ' 81' ' ' TYR . 63.6 mt -62.01 -47.54 84.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.437 . . . . 73.31 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -162.94 19.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 60.32 110.892 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.429 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -83.0 -11.45 81.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 62.42 112.497 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.68 -42.2 1.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 72.42 112.484 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.44 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.827 0.346 . . . . 74.5 110.862 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.6 p -68.09 -47.18 68.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 72.24 110.854 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.97 3.61 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 75.54 110.86 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.7 m -50.89 -57.12 9.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 65.24 111.125 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.09 -37.4 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 75.55 111.061 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -77.36 -43.68 32.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 63.14 110.856 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -62.97 -54.13 43.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 64.53 110.923 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.613 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.5 mm -62.89 -30.42 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 71.35 111.137 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -63.23 -52.21 63.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.31 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -35.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.11 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.475 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.2 m-70 -65.31 -54.44 29.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 71.15 110.856 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.22 -50.93 68.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -55.52 -49.34 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.894 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.05 -44.29 89.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.296 -0.411 . . . . 72.01 110.853 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -56.04 -54.71 41.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 72.33 110.943 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.7 tt0 -55.49 -45.06 77.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.498 . . . . 70.22 110.893 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.02 -30.34 70.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 70.05 111.146 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.57 -48.98 20.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.1 111.117 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.7 pp -69.54 -32.18 70.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.33 110.87 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -75.62 -47.34 26.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.24 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.66 -37.9 80.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 61.21 111.102 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -85.6 -11.16 54.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 120.84 5.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 51.1 110.888 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -92.55 -14.04 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 75.25 110.842 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.16 -169.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.877 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -69.19 -34.58 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 73.23 110.866 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.89 -37.08 56.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 73.21 110.913 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -31.5 69.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 61.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -73.99 -53.17 10.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.959 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -42.22 98.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 63.11 110.834 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -68.56 -26.62 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.873 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -70.82 -53.87 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 74.11 110.892 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.655 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -69.75 -43.17 72.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.84 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -60.2 -28.47 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 74.44 110.875 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 tt0 -78.78 -49.06 13.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 74.54 110.826 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -59.47 -38.54 81.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.943 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.663 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -76.84 -36.5 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 61.34 111.124 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.96 -41.07 95.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 63.35 111.107 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -75.3 -43.06 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 74.14 111.104 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.473 ' N ' HG13 ' A' ' 76' ' ' VAL . 11.7 mmt -66.61 -52.39 45.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 70.51 110.906 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.7 ttt-85 -58.51 -41.43 85.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 74.4 110.843 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -59.55 -47.75 84.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.02 110.918 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.11 -24.12 66.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 61.01 111.168 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -74.86 -46.95 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 70.35 110.917 -179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -68.47 -23.76 64.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 73.23 110.9 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.35 -44.25 12.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.149 -0.478 . . . . 75.01 111.154 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 88' ' ' VAL . 46.7 mtt180 -65.71 -32.79 74.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.867 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.635 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.5 -26.35 26.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 71.4 110.902 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -51.9 -33.93 39.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 61.4 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.11 -28.48 22.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 70.33 111.103 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 84' ' ' ARG . 94.6 t -71.36 -54.28 17.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.01 111.156 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.635 HG22 ' O ' ' A' ' 85' ' ' LYS . 6.5 t -64.47 -32.63 74.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.35 111.137 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 72.43 111.087 179.857 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.625 HG23 ' NZ ' ' A' ' 9' ' ' LYS . 4.1 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 64.44 111.108 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.547 ' HG3' HG12 ' A' ' 6' ' ' VAL . 7.4 mt-30 -144.82 -45.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.883 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.747 ' O ' HG22 ' A' ' 11' ' ' THR . 3.1 m-20 -75.85 -55.09 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 43.24 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.71 ' HA ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -53.23 -26.96 19.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 73.33 110.908 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -22.88 8.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 54.14 110.895 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 8' ' ' ASP . 6.0 t -104.08 -16.61 15.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.198 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.71 HD13 ' HA ' ' A' ' 9' ' ' LYS . 6.1 mp -72.66 103.53 3.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 64.44 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.32 -169.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 71.32 110.852 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -55.82 -22.62 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 71.13 110.849 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -54.1 48.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.12 111.152 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.673 ' OE2' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -54.92 -29.43 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 60.13 110.897 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -71.2 -40.34 71.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 63.53 110.901 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.26 -35.64 80.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.44 111.099 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.02 -36.68 69.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 70.11 110.884 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.457 ' ND2' HD11 ' A' ' 56' ' ' LEU . 2.0 t30 -65.67 -45.92 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 62.31 110.891 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.02 -42.03 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 64.31 111.114 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -61.54 -49.14 77.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 62.04 110.877 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -45.93 89.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 43.23 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD23 ' CG1' ' A' ' 74' ' ' VAL . 51.7 mt -66.17 -33.95 76.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.35 . . . . 54.32 110.907 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 HD12 ' CG2' ' A' ' 45' ' ' ILE . 7.0 tp -66.1 -38.01 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 71.43 110.936 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -70.56 -42.45 71.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.881 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.547 HG21 ' HB ' ' A' ' 74' ' ' VAL . 24.1 t -74.31 -56.34 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 74.01 111.097 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HB3' HD12 ' A' ' 45' ' ' ILE . 81.7 mt -49.92 -46.8 52.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 72.31 110.936 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 8.6 ptt? -67.57 -29.07 68.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 42.15 110.856 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.31 -50.34 73.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.854 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 81' ' ' TYR . 5.8 tp -76.33 -34.11 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 111.101 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.643 ' CB ' HD11 ' A' ' 45' ' ' ILE . 5.8 t-20 -70.59 -26.58 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 70.54 110.895 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 53.8 m -86.0 -30.65 22.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 62.13 111.178 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.1 tp -59.96 -39.23 84.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 53.2 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -174.32 26.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 73.51 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.85 -1.91 59.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 74.31 112.473 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.88 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 52.23 112.487 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.53 -61.4 0.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 70.54 110.848 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 82.5 p -68.12 -49.52 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 45.35 110.842 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.9 -2.18 46.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.857 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.4 ' O ' HG12 ' A' ' 45' ' ' ILE . 47.6 m -51.24 -59.19 4.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 54.42 111.143 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.47 -38.14 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.05 111.075 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -44.04 41.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 64.05 110.821 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -63.87 -54.92 27.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 72.02 110.882 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.643 HD11 ' CB ' ' A' ' 32' ' ' ASN . 5.1 mm -60.7 -30.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.03 111.119 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -64.81 -52.37 57.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 71.11 110.853 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.85 -29.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 71.43 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.7 m170 -71.41 -54.17 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 72.3 110.832 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.16 98.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 34.34 111.093 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -64.82 -49.88 68.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 63.44 110.871 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -64.35 -48.24 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 74.03 110.864 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -53.84 -54.73 34.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.12 110.873 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.01 -45.92 71.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.855 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.21 -30.13 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 75.43 111.122 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.71 19.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 73.53 111.095 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -69.7 -31.9 70.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.907 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -75.37 -48.56 22.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 63.15 110.885 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.73 -36.15 80.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 64.01 111.093 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -89.29 -7.98 54.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.833 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.94 122.06 7.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.12 110.851 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 t -98.6 -18.29 18.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 61.32 110.901 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.52 168.97 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 72.12 110.84 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -51.35 -32.99 27.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.094 -0.503 . . . . 75.1 110.924 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 -34.25 57.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 72.41 110.922 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 -33.44 61.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.01 110.874 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 42.2 t80 -72.74 -53.54 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 64.55 110.917 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -61.23 -38.33 86.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 72.43 110.898 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -70.19 -25.74 63.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 m -73.51 -50.48 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 53.32 110.819 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.629 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.3 -42.13 65.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 55.52 110.879 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 73.21 110.902 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.3 tp10 -78.52 -38.26 41.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 70.11 110.912 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -38.09 74.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.87 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 70' ' ' MET . 27.1 m -77.65 -35.87 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 64.42 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.1 91.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 75.31 111.137 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.5 p -77.15 -42.46 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.156 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.495 ' O ' HG22 ' A' ' 80' ' ' THR . 31.3 mmt -67.55 -52.46 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.851 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -61.57 -34.84 76.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 73.24 110.914 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -63.34 -57.4 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.847 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 77' ' ' MET . 8.8 t -56.88 -23.76 46.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.5 111.134 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.424 ' HA ' HD13 ' A' ' 31' ' ' ILE . 4.8 t80 -72.97 -48.72 34.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 75.42 110.899 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -77.72 -23.32 49.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 54.14 110.884 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.64 -43.58 20.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 64.32 111.158 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' HB2' HD21 ' A' ' 34' ' ' LEU . 90.3 mtt180 -71.34 -40.16 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.846 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.453 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.8 pttp -75.59 -25.69 57.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 71.32 110.915 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -51.75 -48.5 63.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.918 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.42 -32.89 74.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 64.3 111.097 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 78.8 t -66.62 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 74.22 111.111 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.3 t -62.14 -29.99 70.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 72.02 111.131 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.12 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.9 t . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.808 0.337 . . . . 65.13 111.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -145.63 -42.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.24 110.879 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 11' ' ' THR . 55.3 m-20 -126.54 -35.0 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 54.21 110.862 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.4 -27.89 63.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.34 110.893 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.4 -27.49 61.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 63.21 110.841 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 8' ' ' ASP . 10.8 t -93.81 19.92 8.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 75.31 111.138 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.587 HD13 ' OE2' ' A' ' 16' ' ' GLU . 32.0 mt -79.08 141.11 37.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.447 . . . . 55.23 110.914 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.99 -170.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 61.55 110.873 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -76.3 -21.92 55.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 75.31 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.6 -51.19 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 75.54 111.109 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.587 ' OE2' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -54.85 -29.81 56.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.13 110.87 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -72.16 -40.65 67.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.53 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 71.43 111.152 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -75.22 -38.42 60.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 74.0 110.941 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -62.82 -48.84 77.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.23 110.837 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -70.01 -44.38 78.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 70.01 111.137 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -56.32 -47.26 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 62.53 110.859 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.52 -44.26 93.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 73.21 112.523 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 ' CG1' ' A' ' 74' ' ' VAL . 28.1 mt -66.49 -31.72 72.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 73.31 110.925 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.598 HD12 ' CG2' ' A' ' 45' ' ' ILE . 1.8 tp -67.26 -55.57 13.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.875 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -56.92 -39.37 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 65.5 110.888 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.497 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.4 t -73.19 -60.63 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 74.12 111.135 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' HB3' HD12 ' A' ' 45' ' ' ILE . 83.0 mt -51.62 -47.97 63.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 61.43 110.943 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -63.1 -29.7 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 72.03 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -53.37 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 74.04 110.829 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 HD12 ' OG1' ' A' ' 80' ' ' THR . 15.4 tt -75.53 -34.57 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 74.33 111.128 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.609 HD22 HG22 ' A' ' 41' ' ' THR . 0.6 OUTLIER -64.05 -24.4 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.864 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.4 m -80.62 -29.86 36.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.15 111.141 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD11 ' O ' ' A' ' 81' ' ' TYR . 38.5 mt -61.01 -47.27 87.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -164.65 20.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.31 110.898 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -92.92 -1.97 67.1 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.738 . . . . 71.33 112.479 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.59 -48.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 71.42 112.482 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.549 ' CA ' HG23 ' A' ' 41' ' ' THR . 1.1 m 74.5 -61.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.363 . . . . 52.51 110.823 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.0 p -78.59 -42.98 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 75.03 110.865 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -83.65 8.2 15.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 73.13 110.891 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.609 HG22 HD22 ' A' ' 32' ' ' ASN . 18.6 p -49.41 -64.47 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 62.55 111.11 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.72 -34.59 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.12 111.115 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -74.35 -51.83 13.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 72.24 110.897 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' O ' HG13 ' A' ' 47' ' ' ILE . 13.2 mttp -62.71 -54.0 45.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.873 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.598 ' CG2' HD12 ' A' ' 25' ' ' LEU . 4.6 mm -57.97 -30.25 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 75.01 111.129 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -66.29 -53.33 37.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -76.09 -28.45 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.116 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 47' ' ' ILE . 13.2 m170 -73.36 -54.88 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.7 -40.96 96.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 71.35 111.121 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.73 -52.2 47.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 65.03 110.889 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.43 -49.75 75.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 70.53 110.908 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -54.12 -52.35 61.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 73.15 110.843 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.4 tm-20 -53.25 -45.51 68.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 73.54 110.902 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.56 -30.07 70.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 61.5 111.131 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.54 -49.94 17.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 54.5 111.083 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.2 pp -68.38 -38.78 81.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.32 110.886 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -68.59 -40.06 80.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.865 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.23 -41.04 61.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.25 111.074 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.94 -2.1 57.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 74.31 110.903 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.3 t -67.77 -72.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.11 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.13 15.72 9.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 61.04 110.845 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.62 141.29 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 64.35 110.846 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -38.37 74.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.887 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -34.01 58.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 71.21 110.903 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -72.51 -31.71 65.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 72.33 110.908 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -51.86 18.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 75.31 110.935 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -60.55 -38.62 85.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.879 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -68.89 -29.43 67.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 36.4 m -69.86 -56.42 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.21 110.873 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.633 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -65.2 -37.28 86.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 74.24 110.829 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -63.58 -30.72 71.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 71.21 110.868 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 0.0 OUTLIER -78.47 -37.04 44.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 73.03 110.878 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -71.36 -38.44 71.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.44 110.912 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 70' ' ' MET . 27.6 m -77.25 -36.32 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.111 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 70.14 111.115 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 77' ' ' MET . 13.0 p -76.43 -41.91 35.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 70.42 111.11 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.454 ' N ' HG13 ' A' ' 76' ' ' VAL . 20.4 mmt -68.55 -53.21 24.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 72.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -59.01 -41.38 87.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 62.24 110.877 -179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -59.52 -52.51 65.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 62.02 110.896 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.541 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.4 p -57.95 -24.98 60.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 70.42 111.114 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -75.15 -38.65 60.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 75.43 110.956 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -72.6 -22.78 60.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 71.22 110.867 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.23 -47.65 12.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.4 111.134 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.547 ' O ' HG23 ' A' ' 88' ' ' VAL . 2.1 mtt180 -65.32 -50.86 64.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 61.1 110.884 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -52.11 -31.27 30.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.43 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 38.1 m-20 -75.98 -34.69 59.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.868 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.18 -35.62 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.21 111.085 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.3 t -71.24 -30.2 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 74.44 111.115 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.97 -26.13 64.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 64.54 111.113 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 64.21 111.121 179.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 72.34 111.13 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -150.53 -44.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.933 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -114.15 -30.73 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.865 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -30.06 44.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 71.33 110.922 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.14 -23.58 57.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 70.41 110.876 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.6 t -92.16 11.89 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.13 111.185 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.5 mt -59.52 139.56 57.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 71.23 110.95 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.99 177.29 5.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.23 110.83 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -76.49 -22.28 54.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 70.12 110.917 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.38 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 64.51 111.113 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -55.14 -29.67 58.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.899 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -68.86 -50.87 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.851 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.7 88.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 60.44 111.115 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -72.13 -46.56 56.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 56' ' ' LEU . 33.8 t30 -54.6 -51.98 63.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.899 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.81 -41.45 90.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 71.12 111.163 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.67 -45.51 91.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.42 110.899 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.68 63.85 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 61.31 112.492 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 74' ' ' VAL . 36.4 mt -65.96 -41.46 91.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.843 0.354 . . . . 71.51 110.883 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.91 -50.83 69.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.919 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -56.41 -40.05 74.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.951 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB ' ' A' ' 74' ' ' VAL . 39.3 t -74.72 -59.99 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.708 ' HB3' HD12 ' A' ' 45' ' ' ILE . 9.8 mp -50.46 -44.81 55.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 63.33 110.934 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -67.23 -29.81 69.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.35 110.874 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -49.67 74.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 73.32 110.867 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.571 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.7 tt -75.1 -34.79 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.14 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.622 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -71.32 -25.92 62.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 73.35 110.899 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 m -85.36 -30.61 23.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.14 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.0 tp -59.68 -39.72 85.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 63.01 110.953 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -174.21 26.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 74.41 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.51 -3.06 61.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.739 . . . . 74.24 112.472 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.52 -44.41 1.14 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.772 -0.727 . . . . 63.12 112.48 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 m 74.35 -61.49 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 54.42 110.889 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -67.97 -49.75 59.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.497 . . . . 65.52 110.843 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.79 -1.04 45.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.3 110.865 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.447 HG23 ' HB3' ' A' ' 32' ' ' ASN . 53.7 m -54.43 -58.91 5.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 42.42 111.137 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.06 -38.04 3.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 31.2 111.066 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.76 -44.98 30.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.859 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -54.52 39.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 70.45 110.831 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.708 HD12 ' HB3' ' A' ' 28' ' ' LEU . 4.8 mm -62.1 -30.19 48.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 54.01 111.134 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.01 -52.88 61.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 75.3 110.861 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.03 -33.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.111 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.412 ' N ' HD12 ' A' ' 47' ' ' ILE . 22.0 m170 -66.75 -53.68 30.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 51.31 110.821 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.46 -51.28 66.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.1 111.056 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -55.2 -51.85 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 74.12 110.898 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -64.62 -28.65 69.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.14 -54.78 8.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 72.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.455 ' HA ' HD21 ' A' ' 56' ' ' LEU . 12.5 pt-20 -56.12 -33.87 65.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 70.24 110.938 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.09 -30.05 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 51.21 111.115 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.33 -49.19 15.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.089 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.2 pp -67.03 -33.31 75.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 62.42 110.951 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -75.52 -50.33 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 70.44 110.86 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.57 -32.26 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 42.14 111.12 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -95.64 -2.89 47.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 72.23 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.38 121.5 10.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 72.52 110.861 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.96 -20.11 27.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.53 110.848 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.46 170.08 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 55.52 110.862 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -51.46 -32.21 26.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 72.3 110.927 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.29 -34.35 55.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 72.24 110.849 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -74.81 -31.37 61.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 63.21 110.883 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -70.19 -53.79 15.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.901 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.5 ptm -64.28 -42.61 96.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 72.11 110.922 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -65.54 -26.75 68.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 71.04 110.829 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.27 -51.66 16.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 62.03 110.852 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.573 ' O ' HG22 ' A' ' 74' ' ' VAL . 6.5 ptt? -71.28 -42.36 68.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.882 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.37 -30.02 70.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 61.5 110.876 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.458 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.6 tm-20 -78.74 -37.03 42.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 71.42 110.855 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -71.77 -37.85 70.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 53.44 110.877 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.757 ' HB ' HG21 ' A' ' 27' ' ' VAL . 27.1 m -77.09 -37.09 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.093 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.37 88.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 72.32 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 72' ' ' GLU . 14.5 p -77.18 -42.66 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 65.42 111.115 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 22.9 mmm -66.34 -52.89 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.72 -34.6 76.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.864 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.23 -56.67 16.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.862 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.571 ' CG2' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -58.66 -23.98 60.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 74.43 111.129 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.413 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 4.4 t80 -71.34 -50.2 34.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.925 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.57 -23.39 56.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 73.01 110.867 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.04 -49.01 11.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -41.01 94.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 75.31 110.87 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.627 ' HB3' HD22 ' A' ' 34' ' ' LEU . 1.6 pttp -71.44 -25.86 62.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.867 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.54 -39.9 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 74.44 110.888 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.07 -37.01 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 71.42 111.136 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.1 t -62.65 -49.34 84.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 42.12 111.108 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 12.4 t -69.35 -25.34 64.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 71.52 111.095 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.42 111.068 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 65.42 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -179.76 -49.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 70.42 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.741 ' O ' HG22 ' A' ' 11' ' ' THR . 92.3 m-20 -71.68 -31.95 67.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 72.03 110.908 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.735 ' HA ' HD13 ' A' ' 12' ' ' LEU . 1.8 mmmp? -51.4 -26.43 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 60.22 110.889 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.73 -24.98 24.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 65.13 110.867 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 8' ' ' ASP . 5.8 t -96.07 -16.47 21.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 62.35 111.146 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 9' ' ' LYS . 7.2 mp -81.04 81.82 7.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 64.52 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.07 -170.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 70.53 110.863 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -61.49 -22.91 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 72.12 110.934 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.97 -52.03 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 43.02 111.093 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -55.67 -29.38 59.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.882 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -67.04 -50.63 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.889 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 71.1 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -73.79 -49.52 24.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.32 110.924 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -54.26 -51.3 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.916 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 52.5 t -66.79 -34.12 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 65.13 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -64.11 -45.29 89.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.25 -33.84 64.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 71.51 112.495 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD23 HG12 ' A' ' 74' ' ' VAL . 62.1 mt -77.74 -35.44 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 63.22 110.86 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.673 HD12 HG22 ' A' ' 45' ' ' ILE . 8.8 tp -67.91 -43.33 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.33 110.942 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.493 ' NE2' HG23 ' A' ' 27' ' ' VAL . 0.9 OUTLIER -70.98 -36.07 72.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 65.3 110.94 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.692 HG21 ' HB ' ' A' ' 74' ' ' VAL . 4.4 t -76.37 -59.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 64.42 111.144 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' HB3' HD12 ' A' ' 45' ' ' ILE . 94.4 mt -50.43 -43.23 54.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.3 110.895 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -69.02 -31.3 70.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 71.24 110.919 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -48.39 81.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.43 110.835 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.649 HD12 ' CG2' ' A' ' 80' ' ' THR . 7.8 tt -76.15 -34.85 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 71.42 111.168 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.563 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.96 -25.66 63.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 60.34 110.884 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 86.3 m -85.43 -30.31 23.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 70.21 111.149 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.67 -40.54 92.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.4 110.917 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -172.22 25.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 61.1 110.897 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.78 -7.57 66.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.789 -0.719 . . . . 65.45 112.552 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.13 -38.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.78 -0.724 . . . . 65.12 112.537 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.76 -60.66 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 71.54 110.854 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 t -66.94 -46.73 73.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.44 110.879 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -83.08 3.84 28.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 71.2 110.923 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.2 m -59.31 -62.16 2.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 70.24 111.137 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.27 -36.73 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 71.14 111.108 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -46.59 32.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.826 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.76 -54.23 38.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 71.14 110.864 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.673 HG22 HD12 ' A' ' 25' ' ' LEU . 4.5 mm -59.58 -30.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.15 111.156 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -53.41 42.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 72.05 110.847 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.99 -29.86 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 73.52 111.131 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.6 m170 -71.75 -55.02 8.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.35 110.832 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.84 96.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 31.21 111.065 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -52.78 44.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 73.31 110.902 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -60.01 -49.85 76.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 63.25 110.89 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -53.8 -51.29 63.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.834 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -53.55 -45.1 69.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 75.41 110.905 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.02 69.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 71.13 111.117 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.56 -49.08 19.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 44.12 111.099 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.37 -33.91 73.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 74.11 110.884 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -73.99 -41.2 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 70.23 110.885 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.0 -36.56 64.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 52.33 111.083 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -91.42 -1.87 57.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.908 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.02 -72.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 62.22 110.846 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.36 12.8 8.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 51.55 110.852 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 p -177.78 159.04 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 64.45 110.892 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.42 -32.64 60.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.919 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.03 -40.48 68.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 52.11 110.877 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -75.78 -31.19 59.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 65.11 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.3 -53.83 26.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 70.2 110.928 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -25.71 64.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 64.24 110.859 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.54 -33.02 58.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 74.2 110.881 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 p -75.22 -42.11 56.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.814 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.52 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -73.21 -38.43 66.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 70.54 110.934 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -69.83 -27.39 64.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 71.22 110.927 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -77.89 -49.98 13.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 70.12 110.882 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.42 -38.04 79.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 62.44 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.692 ' HB ' HG21 ' A' ' 27' ' ' VAL . 32.4 m -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 74.4 111.131 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.91 -38.27 82.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 53.53 111.098 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 77' ' ' MET . 14.5 p -77.42 -41.34 29.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 75.51 111.15 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.47 ' O ' HG22 ' A' ' 80' ' ' THR . 14.7 mmt -67.94 -52.18 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.906 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HB2' HG22 ' A' ' 27' ' ' VAL . 38.5 ttt180 -62.24 -35.35 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.894 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -62.79 -57.4 11.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.649 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.4 t -57.42 -23.96 52.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 63.44 111.162 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.03 -49.42 36.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 73.13 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -77.78 -23.2 49.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.892 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.9 m -80.23 -46.13 16.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 50.12 111.15 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.5 mmm-85 -70.01 -38.29 75.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 73.54 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.601 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.81 -25.87 60.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.92 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.8 -41.45 86.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 72.22 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.76 -37.32 70.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.32 111.136 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.01 -61.24 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 61.33 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.7 t -55.38 -31.32 61.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.33 111.119 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 63.24 111.101 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.759 0.314 . . . . 64.51 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' O ' HG22 ' A' ' 11' ' ' THR . 5.1 pt20 -125.82 -6.63 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 54.12 110.888 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.458 ' HA ' HG22 ' A' ' 11' ' ' THR . 6.6 m-20 -96.12 -24.38 16.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 65.41 110.907 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -26.37 41.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 75.53 110.844 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.09 -21.89 27.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 74.45 110.869 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 8' ' ' ASP . 14.9 t -107.24 26.32 10.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 70.22 111.154 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.83 155.36 30.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 63.22 110.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 168.45 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 52.44 110.844 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -69.39 -22.32 63.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 54.23 110.889 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -53.73 53.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 40.53 111.091 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -55.16 -29.53 57.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 65.04 110.859 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -70.26 -50.89 35.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.854 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.34 77.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 65.22 111.102 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -47.59 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.33 110.912 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -54.84 -52.64 62.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 50.41 110.892 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.39 -43.62 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 74.35 111.111 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -57.83 -46.59 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 61.13 110.894 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.28 -40.57 94.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 55.42 112.529 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.3 mt -69.69 -35.49 75.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 73.32 110.881 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD12 HG22 ' A' ' 45' ' ' ILE . 4.1 tp -66.27 -38.64 88.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -70.52 -41.12 72.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 73.25 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.637 HG21 ' HB ' ' A' ' 74' ' ' VAL . 30.1 t -75.39 -57.0 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 54.43 111.088 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 ' HB3' HD12 ' A' ' 45' ' ' ILE . 88.3 mt -49.62 -45.1 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.55 110.968 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -69.46 -29.48 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.45 110.825 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -50.06 75.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 63.24 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.664 HD12 ' CG2' ' A' ' 80' ' ' THR . 9.6 tt -75.45 -34.63 30.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 74.1 111.165 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.582 ' CB ' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -69.88 -25.84 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.908 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -85.54 -30.18 23.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 53.41 111.134 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.3 tp -60.68 -40.77 93.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.43 110.909 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -171.72 25.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.916 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.8 -7.32 66.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 71.34 112.451 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.29 -38.73 1.79 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 54.12 112.51 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.73 -60.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.371 . . . . 51.12 110.875 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.91 -47.16 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 70.23 110.9 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -83.09 3.84 28.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 75.33 110.865 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 HG23 ' HB3' ' A' ' 32' ' ' ASN . 58.9 m -59.69 -61.47 2.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 71.54 111.148 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.34 -36.96 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.01 111.114 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -75.67 -46.03 33.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.875 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -54.44 35.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 52.14 110.891 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.665 HG22 HD12 ' A' ' 25' ' ' LEU . 4.7 mm -59.88 -30.6 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.51 111.143 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -64.93 -54.11 35.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.864 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.8 pp -75.31 -30.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 72.34 111.086 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.522 ' N ' HD12 ' A' ' 47' ' ' ILE . 11.5 m-70 -70.39 -53.6 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 70.22 110.892 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.68 -43.29 97.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 75.33 111.052 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -53.42 39.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.945 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -58.88 -48.97 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 55.52 110.841 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -53.35 -52.4 59.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 64.21 110.899 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.1 tm-20 -53.48 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 75.4 110.873 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.93 -30.49 70.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 71.51 111.091 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.14 -49.0 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.094 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.59 -32.15 70.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 74.42 110.943 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -75.63 -47.85 24.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 52.53 110.885 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.71 -38.08 83.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 60.35 111.119 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -86.21 -10.05 55.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 75.33 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 121.97 7.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 74.5 110.852 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.1 m -93.71 -18.28 22.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 62.22 110.858 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.36 169.54 2.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 63.35 110.824 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -51.52 -33.06 30.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.876 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -33.51 56.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.952 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -36.45 63.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 51.22 110.919 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.1 -52.41 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 74.21 110.928 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -39.5 94.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 64.21 110.834 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -69.81 -25.89 63.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.34 110.833 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.18 -51.33 18.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 63.14 110.839 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.612 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.2 OUTLIER -71.3 -41.54 69.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 72.33 110.892 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.41 -28.14 69.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.887 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -78.62 -48.48 15.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 70.12 110.903 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -60.53 -38.29 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 71.03 110.898 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.637 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.2 m -76.58 -35.94 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 74.13 111.104 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.89 83.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 77' ' ' MET . 14.6 p -77.3 -41.54 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 73.4 111.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.455 ' O ' HG22 ' A' ' 80' ' ' THR . 11.9 mmt -67.41 -50.85 57.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.859 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -62.85 -35.91 81.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 72.23 110.86 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 -62.42 -57.05 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.891 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.664 ' CG2' HD12 ' A' ' 31' ' ' ILE . 9.0 t -57.68 -24.36 56.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 61.52 111.118 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -71.63 -47.99 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -79.19 -23.09 44.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 53.03 110.911 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.7 m -79.42 -45.16 20.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 75.41 111.093 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -72.11 -40.64 68.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.2 110.878 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.632 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.59 -25.73 63.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 72.51 110.915 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.94 96.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.434 . . . . 71.33 110.83 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.7 72.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 73.32 111.102 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.57 -58.44 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.106 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.5 t -58.79 -30.28 67.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 71.41 111.115 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 70.41 111.086 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.753 HG12 ' HG3' ' A' ' 7' ' ' GLN . 14.8 t . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.803 0.335 . . . . 74.11 111.176 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.753 ' HG3' HG12 ' A' ' 6' ' ' VAL . 38.0 mt-30 -145.87 -45.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.887 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.542 ' HA ' HG22 ' A' ' 11' ' ' THR . 2.3 m-20 -120.78 -28.48 4.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 62.21 110.849 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -27.7 58.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 55.13 110.911 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -83.47 -22.6 32.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.875 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.542 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.7 t -102.45 23.78 11.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 74.23 111.098 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.25 147.01 54.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 71.3 110.92 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 p -100.26 172.96 6.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 54.14 110.814 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -74.8 -22.17 58.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 64.51 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -52.55 64.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.32 111.103 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.0 -29.92 58.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 63.43 110.869 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -68.64 -51.14 45.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 62.21 110.86 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.78 -38.92 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.34 111.104 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -45.3 62.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.33 110.857 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.44 -51.49 64.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.874 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.9 t -68.9 -44.08 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.113 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -56.88 -42.06 79.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 63.13 110.878 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.33 -42.21 50.23 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 35.43 112.47 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.594 HD23 ' CG1' ' A' ' 74' ' ' VAL . 38.8 mt -65.62 -39.74 91.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.86 0.362 . . . . 74.25 110.932 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 45' ' ' ILE . 4.2 tp -68.59 -54.41 16.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 61.13 110.879 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -56.66 -37.6 71.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.951 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 74' ' ' VAL . 14.5 t -76.3 -59.48 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 71.25 111.131 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 24' ' ' LEU . 18.9 mt -52.19 -38.37 57.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 65.04 110.942 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -76.2 -25.45 55.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 63.5 110.868 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -49.66 68.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.42 110.905 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.521 HD12 HD23 ' A' ' 34' ' ' LEU . 6.2 tp -75.32 -34.12 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 71.32 111.122 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.12 110.847 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 82.3 m -86.79 -31.57 20.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 63.14 111.174 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -52.23 -40.29 61.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 64.32 110.913 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -175.92 26.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 62.42 110.878 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.23 -22.0 74.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 60.15 112.53 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.96 21.58 79.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 73.23 112.528 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -127.52 87.63 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 74.32 110.817 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 26.1 p -55.99 -22.78 28.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 71.53 110.842 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -84.09 12.12 6.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.839 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -44.51 -46.93 10.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 74.03 111.173 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.74 -39.09 7.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 63.53 111.108 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -77.02 -46.63 23.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.881 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -54.43 45.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.869 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 25' ' ' LEU . 5.4 mm -62.23 -30.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 72.31 111.158 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -61.86 -53.18 59.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.53 110.877 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.468 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.9 -34.87 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.22 111.147 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.468 ' N ' HD12 ' A' ' 47' ' ' ILE . 12.9 m-70 -65.52 -53.34 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.871 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -46.73 85.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 55.54 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -58.51 -55.44 35.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.913 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -59.6 -36.27 75.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.14 110.889 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -67.29 -50.1 61.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.25 110.889 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HA ' HD21 ' A' ' 56' ' ' LEU . 2.9 tm-20 -53.52 -45.96 69.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.46 71.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 63.22 111.099 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.97 -48.98 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 74.31 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 53' ' ' GLU . 2.8 pp -69.47 -31.97 70.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 62.02 110.896 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -75.24 -46.74 31.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.875 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.27 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 72.33 111.094 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -88.33 -9.86 51.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 72.3 110.92 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.71 121.09 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 54.15 110.835 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.96 -22.72 55.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 53.54 110.87 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.62 172.05 1.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 72.21 110.905 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -51.83 -30.4 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.21 110.881 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -36.53 56.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 74.24 110.878 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -75.26 -30.99 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.89 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -71.2 -55.18 8.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 73.4 110.906 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -62.07 -42.2 98.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.866 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -64.99 -28.58 69.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 74.34 110.846 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -71.11 -55.46 8.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.22 110.893 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.645 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -68.09 -43.1 79.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 63.42 110.918 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 75' ' ' ALA . 62.0 t30 -60.29 -28.51 68.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 72.41 110.863 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -77.91 -49.99 13.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 73.31 110.841 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.04 -38.84 80.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.909 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 70' ' ' MET . 35.0 m -77.42 -34.51 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 71' ' ' ASN . . . -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 65.14 111.074 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 77' ' ' MET . 9.5 p -76.63 -43.62 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 63.41 111.131 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' HG22 ' A' ' 80' ' ' THR . 21.0 mmt -65.37 -52.61 52.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 75.33 110.869 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -61.61 -33.71 74.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 65.32 110.901 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -62.67 -57.21 11.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 60.11 110.929 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 77' ' ' MET . 9.0 t -58.08 -23.83 56.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 64.03 111.092 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.525 ' O ' HD22 ' A' ' 34' ' ' LEU . 6.1 t80 -72.03 -50.05 31.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 72.23 110.931 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -72.29 -23.91 61.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 61.22 110.916 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.38 -46.7 14.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 71.32 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 88' ' ' VAL . 7.3 mtt85 -65.29 -33.54 76.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 74.15 110.838 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -80.21 -25.78 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -70.71 -26.08 63.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.833 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.04 -33.35 19.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 52.31 111.109 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.7 t -71.73 -30.28 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.05 111.128 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.09 -30.05 64.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.41 111.193 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.21 111.107 179.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.778 0.323 . . . . 73.14 111.127 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -151.06 -44.25 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 61.42 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -114.28 -30.86 6.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 71.41 110.889 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 -27.92 40.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 73.14 110.915 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -78.05 -24.8 47.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 64.2 110.848 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 t -87.67 7.5 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 62.2 111.168 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -65.61 156.78 31.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.1 m -100.02 164.33 12.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.874 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -76.65 -22.77 53.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 52.2 110.894 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.01 -46.19 85.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 44.25 111.084 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -54.75 -30.07 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 73.54 110.961 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.0 mtt180 -62.37 -50.66 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.503 . . . . 71.2 110.859 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.07 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 64.3 111.062 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.52 -48.05 70.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 70.31 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -53.65 -53.2 55.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 54.42 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.72 -37.25 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 62.51 111.152 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -58.4 -47.43 83.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 34.52 110.861 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -32.45 81.61 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.772 -0.727 . . . . 60.22 112.525 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.702 HD23 HG12 ' A' ' 74' ' ' VAL . 77.7 mt -77.24 -33.86 55.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 64.44 110.954 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.75 -42.95 80.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 72.44 110.869 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.74 -36.38 70.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 70.21 110.887 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 74' ' ' VAL . 16.2 t -75.92 -58.61 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.11 111.127 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.625 ' HB2' HG23 ' A' ' 45' ' ' ILE . 44.6 mt -51.26 -45.08 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 61.03 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 9.5 ptt? -66.67 -31.8 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.883 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.891 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.691 HD12 ' OG1' ' A' ' 80' ' ' THR . 6.6 tt -77.01 -34.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 52.52 111.134 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.637 ' CB ' HD11 ' A' ' 45' ' ' ILE . 9.2 t-20 -69.38 -25.95 64.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.35 110.902 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 52.7 m -85.56 -30.46 23.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 45.5 111.161 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.5 tp -60.28 -39.33 86.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.877 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -174.42 26.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -105.08 7.23 43.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 61.44 112.497 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.79 -50.65 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 73.13 112.491 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.25 -68.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 65.03 110.831 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 t -66.75 -48.4 69.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 72.55 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.97 3.69 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.065 -0.516 . . . . 61.4 110.894 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 45' ' ' ILE . 24.7 m -50.93 -57.4 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 64.33 111.138 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.38 -37.84 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 74.01 111.087 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -76.47 -45.74 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.3 110.885 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -61.36 -54.5 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 70.42 110.902 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.637 HD11 ' CB ' ' A' ' 32' ' ' ASN . 4.8 mm -61.89 -30.51 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 74.21 111.155 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.41 -52.88 61.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.03 110.882 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -78.56 -34.16 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 72.34 111.121 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.427 ' N ' HD12 ' A' ' 47' ' ' ILE . 21.4 m170 -65.72 -53.8 35.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.23 110.831 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.2 -52.34 59.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 35.11 111.071 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.77 -48.69 69.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.05 -40.38 82.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.867 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.53 -55.46 34.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.897 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.15 -46.54 82.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 73.2 110.842 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.71 -30.05 71.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.115 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.2 -49.72 18.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 43.33 111.087 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 70' ' ' MET . 1.5 pp -70.3 -31.38 68.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.934 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -75.54 -51.64 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.14 110.838 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.74 74.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 60.32 111.072 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.6 mmtp -94.91 -3.59 48.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.86 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.25 123.39 13.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 74.22 110.844 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -90.13 -22.86 21.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 62.12 110.864 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.51 172.9 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 53.4 110.896 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -51.95 -29.95 22.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.41 110.874 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -36.99 56.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 73.42 110.892 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -34.77 60.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.427 . . . . 73.41 110.921 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -67.11 -54.64 19.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.51 110.919 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.45 -33.26 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.887 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -61.92 -50.4 72.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 72.12 110.867 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.4 m -62.94 -40.04 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.21 110.909 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 24' ' ' LEU . 57.4 mmm -65.43 -53.52 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 62.34 110.837 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -65.51 -25.82 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.898 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -77.62 -55.3 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 62.15 110.88 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.78 -37.59 66.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 73.53 110.9 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.702 HG12 HD23 ' A' ' 24' ' ' LEU . 21.8 m -77.54 -35.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.141 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.18 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 53.2 111.085 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 77' ' ' MET . 14.4 p -76.58 -40.45 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 61.12 111.148 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.44 ' HG3' HD23 ' A' ' 28' ' ' LEU . 20.3 mmt -71.5 -53.45 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.86 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -58.33 -41.04 83.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 64.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.01 -52.71 62.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.865 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.691 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.2 p -55.4 -25.88 38.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.35 111.179 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -75.47 -45.43 38.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 52.24 110.935 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -76.26 -23.5 54.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.43 110.896 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.63 -45.73 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 75.52 111.141 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.409 ' CB ' HD21 ' A' ' 34' ' ' LEU . 0.9 OUTLIER -68.96 -32.41 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.22 110.825 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.508 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -81.33 -25.81 36.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.888 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.424 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.0 t-20 -57.74 -39.14 76.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 70.3 110.907 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.54 -38.08 68.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 62.32 111.096 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.64 -46.38 86.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 73.11 111.132 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 85' ' ' LYS . 10.0 t -74.31 -28.89 61.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.32 111.122 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 63.51 111.105 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 7' ' ' GLN . 11.5 t . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.799 0.333 . . . . 53.51 111.107 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.712 ' HG2' HG12 ' A' ' 6' ' ' VAL . 11.9 pt20 179.36 -33.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.897 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.531 ' HA ' HG22 ' A' ' 11' ' ' THR . 54.0 m-20 -88.4 -26.91 21.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 74.12 110.851 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.43 ' HZ2' ' N ' ' A' ' 6' ' ' VAL . 0.0 OUTLIER -78.36 -25.33 46.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 62.22 110.917 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -22.77 24.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.21 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.8 t -103.92 26.74 8.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 71.43 111.104 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.49 152.02 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 70.23 110.913 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.9 173.22 6.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.877 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -72.07 -22.34 61.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 63.44 110.902 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.16 -53.84 52.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 62.52 111.1 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.1 -29.62 58.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.01 110.899 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -70.13 -51.0 34.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.824 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.88 -34.38 78.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.075 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.83 -46.58 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 75.21 110.927 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -54.59 -48.86 71.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 71.04 110.913 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.08 -34.54 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.104 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -64.06 -44.31 92.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.903 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.96 -31.92 61.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.733 -0.746 . . . . 74.5 112.522 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD23 HG12 ' A' ' 74' ' ' VAL . 56.6 mt -77.59 -39.92 43.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.806 0.336 . . . . 72.42 110.9 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.871 HD12 HG22 ' A' ' 45' ' ' ILE . 6.2 tp -67.0 -40.76 87.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 73.05 110.956 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -70.57 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.929 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG21 ' HB ' ' A' ' 74' ' ' VAL . 12.3 t -74.55 -57.99 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.15 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' HB3' HD12 ' A' ' 45' ' ' ILE . 84.6 mt -49.82 -47.57 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 74.12 110.914 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -65.96 -30.29 70.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 74.52 110.86 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -53.81 53.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 53.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.3 tt -77.04 -34.66 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 63.4 111.137 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.534 ' CB ' HD11 ' A' ' 45' ' ' ILE . 1.1 t30 -64.12 -23.51 67.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 72.41 110.901 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 44.8 m -80.77 -29.26 36.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 73.52 111.135 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD11 ' O ' ' A' ' 81' ' ' TYR . 58.4 mt -62.09 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.935 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -162.49 19.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.836 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -85.49 -8.76 80.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.743 . . . . 74.23 112.493 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.36 -43.35 1.06 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.726 -0.75 . . . . 61.12 112.523 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.9 0.381 . . . . 44.32 110.893 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.0 p -68.54 -46.66 68.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 54.43 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -82.78 2.82 32.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.852 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.5 m -50.47 -57.47 7.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.127 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -37.29 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 65.42 111.058 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.26 -45.51 26.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 74.51 110.871 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -61.73 -54.4 43.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.87 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.871 HG22 HD12 ' A' ' 25' ' ' LEU . 5.0 mm -62.34 -30.62 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.165 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -62.64 -52.69 62.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.854 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.6 pp -77.95 -35.36 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 75.0 111.156 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.461 ' N ' HD12 ' A' ' 47' ' ' ILE . 20.1 m170 -64.87 -54.19 34.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.857 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.56 -52.24 61.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 70.32 111.112 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -53.92 -53.73 48.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 75.01 110.892 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -59.84 -44.23 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 71.14 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -56.31 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 75.1 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.409 ' HA ' HD21 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -53.52 -45.55 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.888 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.28 70.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 64.22 111.119 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.32 19.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 54.11 111.085 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.4 pp -69.45 -31.87 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.915 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -75.8 -47.28 26.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 62.23 110.882 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.82 79.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 65.43 111.126 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -86.99 -8.6 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 72.52 110.871 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.17 121.12 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 62.31 110.843 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.2 m -93.38 -16.84 24.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 62.22 110.848 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 168.51 2.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.88 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -51.44 -34.16 33.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.129 -0.487 . . . . 75.1 110.915 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.97 -32.86 57.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 64.43 110.884 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -73.64 -35.51 65.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 74.23 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -65.79 -51.92 55.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.932 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -41.32 89.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 75.24 110.88 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.27 -30.2 71.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 61.23 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -72.84 -52.17 15.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.815 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.546 ' O ' HG22 ' A' ' 74' ' ' VAL . 7.0 ptt? -68.07 -35.65 78.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 74.2 110.864 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -68.56 -27.5 66.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 53.14 110.87 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -78.33 -50.04 12.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 62.52 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.85 78.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 73.04 110.889 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.556 HG12 HD23 ' A' ' 24' ' ' LEU . 33.3 m -77.25 -36.3 23.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 74.54 111.108 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.79 92.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.088 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.17 -42.66 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 74.22 111.119 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.458 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.1 mmt -67.38 -52.63 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 74.52 110.895 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 2.0 tmt_? -59.2 -40.81 86.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.12 110.867 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -59.86 -49.37 77.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.916 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -61.15 -24.39 66.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 64.53 111.069 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.468 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.36 -47.35 34.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 75.25 110.924 -179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -68.25 -23.69 64.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 64.31 110.887 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.37 -44.7 12.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 70.21 111.093 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 88' ' ' VAL . 38.1 mtt-85 -67.01 -33.51 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.838 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 89' ' ' THR . 0.0 OUTLIER -85.21 -25.85 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 70.31 110.87 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -52.99 -33.12 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 54.35 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.9 -30.8 21.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.42 111.13 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 84' ' ' ARG . 78.5 t -67.43 -47.84 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.53 111.138 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 85' ' ' LYS . 4.6 t -69.76 -27.54 65.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 62.32 111.126 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 61.41 111.054 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.722 0.296 . . . . 75.22 111.091 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -149.4 -45.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.9 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.51 ' HA ' HG22 ' A' ' 11' ' ' THR . 5.6 m-20 -122.22 -27.36 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 64.12 110.898 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.49 -28.02 46.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 73.25 110.848 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -85.63 -20.28 29.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 70.4 110.875 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.5 t -107.13 24.65 12.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 73.11 111.162 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -61.53 142.64 56.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 55.13 110.921 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.11 173.26 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 73.11 110.839 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -75.05 -22.25 58.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 75.01 110.87 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.78 -53.12 61.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 62.42 111.102 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -55.06 -29.6 57.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 72.3 110.913 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.0 mtm180 -69.52 -50.99 39.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.884 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.95 85.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.32 111.092 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -44.43 51.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 62.31 110.919 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -54.56 -48.97 71.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.891 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -70.82 -39.03 74.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 74.21 111.108 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 -59.66 -46.65 88.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 73.41 110.884 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.21 -40.88 81.52 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.747 -0.74 . . . . 71.33 112.53 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD23 ' CG1' ' A' ' 74' ' ' VAL . 68.3 mt -68.1 -37.0 80.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.839 0.352 . . . . 75.22 110.891 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD12 HG22 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -65.62 -53.48 40.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.92 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -56.96 -37.41 71.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 63.4 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.704 HG21 ' HB ' ' A' ' 74' ' ' VAL . 16.5 t -74.67 -60.34 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 73.53 111.126 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 ' HB3' HD12 ' A' ' 45' ' ' ILE . 1.4 mm? -52.48 -45.46 66.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.03 110.928 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -64.53 -31.42 72.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 53.31 110.86 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -48.62 77.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 75.35 110.849 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' HB ' ' HB2' ' A' ' 81' ' ' TYR . 14.4 tt -76.03 -34.85 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 72.14 111.112 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.679 ' HB3' HG23 ' A' ' 41' ' ' THR . 0.1 OUTLIER -71.32 -26.11 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 73.33 110.887 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 49.8 m -85.74 -29.89 23.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 71.54 111.191 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.4 tp -60.95 -40.52 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.93 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -171.81 26.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.1 110.887 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -95.64 -2.39 61.53 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 72.14 112.489 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.48 -42.93 1.27 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.722 -0.751 . . . . 63.41 112.471 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.95 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 71.32 110.838 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -67.12 -50.5 61.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.866 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -83.26 -6.04 59.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.479 . . . . 71.43 110.849 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 ' HB3' ' A' ' 32' ' ' ASN . 20.4 m -48.03 -60.07 2.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 72.11 111.133 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.71 -53.47 5.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 74.21 111.093 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.97 -44.16 82.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.82 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -45.81 90.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 63.13 110.91 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.628 HG22 HD12 ' A' ' 25' ' ' LEU . 3.3 mm -62.7 -29.97 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 61.02 111.115 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -68.59 -51.15 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 65.5 110.845 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 pp -75.97 -27.81 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 73.11 111.168 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -75.76 -55.19 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 72.35 110.888 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.76 -35.15 77.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 70.23 111.075 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.05 -49.02 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 72.54 110.945 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -64.57 -50.18 68.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 64.05 110.874 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -55.85 -52.78 62.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 70.32 110.868 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -53.33 -46.88 69.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.93 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.36 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 42.22 111.119 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.78 -49.51 20.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 62.34 111.097 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 66' ' ' TYR . 1.1 pp -70.33 -31.57 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 55.2 110.954 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -75.37 -49.63 18.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 65.34 110.926 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.49 -34.23 77.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 44.31 111.091 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -91.1 -6.55 53.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 71.13 110.944 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.82 121.87 10.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 73.44 110.851 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.1 m -91.47 -19.12 23.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 54.14 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.2 170.68 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 62.23 110.838 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -51.62 -32.85 30.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.952 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -34.56 57.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.902 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -31.87 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 72.14 110.888 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CE1' HD12 ' A' ' 56' ' ' LEU . 67.1 t80 -69.41 -52.68 24.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 71.5 110.92 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 14.2 ptm -64.32 -39.3 93.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 64.34 110.849 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -66.13 -31.03 71.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.33 110.881 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m -71.35 -49.77 39.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.889 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.602 ' O ' HG22 ' A' ' 74' ' ' VAL . 9.1 ptm -70.78 -42.39 70.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 74.53 110.874 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -60.92 -31.23 70.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 70.12 110.864 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 7.0 tt0 -78.29 -37.64 44.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 51.43 110.879 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.06 -37.82 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.878 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.704 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.8 m -77.69 -36.42 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 70.55 111.159 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.94 92.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.41 111.127 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 11.4 p -75.29 -42.53 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 61.24 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 28.7 mmt -68.19 -53.54 24.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 71.42 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 27' ' ' VAL . 4.9 tmt_? -57.83 -39.68 78.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 73.04 110.878 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -61.76 -48.83 78.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.881 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.6 -24.96 64.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 60.12 111.129 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.408 ' HB2' ' HB ' ' A' ' 31' ' ' ILE . 6.9 t80 -75.36 -47.39 27.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.883 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -76.22 -23.22 54.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 53.21 110.898 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -82.34 -44.34 16.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 74.43 111.12 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -69.5 -36.36 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.42 110.851 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.553 ' HB3' HD22 ' A' ' 34' ' ' LEU . 4.1 pttp -79.57 -25.92 41.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.897 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.63 -41.14 85.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.51 -37.46 74.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.074 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.5 t -66.2 -50.3 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 74.14 111.117 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.9 t -69.68 -29.4 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 74.51 111.174 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 74.12 111.114 179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.732 0.301 . . . . 75.25 111.136 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -150.12 -45.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 72.04 110.915 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.691 ' O ' HG22 ' A' ' 11' ' ' THR . 71.5 m-20 -114.71 -30.06 6.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 42.4 110.889 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -27.38 40.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.13 110.877 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -56.58 -27.24 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.846 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.691 HG22 ' O ' ' A' ' 8' ' ' ASP . 5.4 t -70.6 -15.54 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 64.55 111.141 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 HD22 ' CD ' ' A' ' 16' ' ' GLU . 43.6 mt -54.45 135.23 45.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 52.22 110.95 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.32 -175.59 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 71.35 110.873 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -76.81 -22.26 53.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 72.34 110.87 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -53.61 55.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.12 111.106 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' CD ' HD22 ' A' ' 12' ' ' LEU . 19.8 mt-10 -54.93 -29.74 57.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.916 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -69.15 -50.92 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 62.32 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.34 83.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 12.54 111.092 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -73.22 -47.13 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.04 110.894 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.41 HD21 HD11 ' A' ' 56' ' ' LEU . 27.3 t30 -54.52 -52.36 62.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 65.41 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.18 -40.47 87.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 71.13 111.115 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.1 -40.47 97.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.858 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.32 -39.16 57.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 61.22 112.467 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD23 ' CG1' ' A' ' 74' ' ' VAL . 53.4 mt -68.42 -40.68 81.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 71.12 110.915 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.37 -53.36 24.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 62.55 110.931 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -57.3 -38.45 74.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.906 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG21 ' HB ' ' A' ' 74' ' ' VAL . 11.0 t -75.34 -59.55 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 71.22 111.19 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 24' ' ' LEU . 16.9 mt -51.98 -41.14 61.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 64.41 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -73.64 -25.31 60.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 44.02 110.894 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -49.5 69.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 64.14 110.914 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.518 HD12 ' OG1' ' A' ' 80' ' ' THR . 10.9 tt -73.99 -34.59 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 72.15 111.167 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.18 -31.52 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 74.44 110.892 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.9 m -86.98 -31.57 20.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 75.33 111.128 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.4 tp -53.48 -40.13 65.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 62.44 110.915 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -175.39 25.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.4 110.92 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.61 -22.8 75.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.763 -0.732 . . . . 64.41 112.509 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.09 25.49 68.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.76 -0.733 . . . . 70.22 112.476 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.74 88.93 2.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.866 0.365 . . . . 63.42 110.852 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 p -55.78 -29.39 59.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.11 110.826 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -84.17 11.94 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.34 110.918 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.507 ' O ' HG12 ' A' ' 45' ' ' ILE . 1.8 t -45.96 -49.07 16.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 71.54 111.101 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 41' ' ' THR . . . -44.13 -35.14 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 62.01 111.093 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -48.0 14.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 62.35 110.868 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -63.92 -33.89 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 41' ' ' THR . 17.4 mm -77.08 -31.89 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 74.21 111.09 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -66.31 -45.25 80.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 72.25 110.889 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.42 -34.06 24.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.101 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -73.11 -53.85 10.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 71.24 110.866 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.71 -42.67 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.115 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -64.06 -55.91 18.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 73.24 110.912 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -59.01 -37.18 76.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.876 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -66.76 -49.59 65.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 62.44 110.857 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' HA ' HD21 ' A' ' 56' ' ' LEU . 1.9 tm-20 -53.18 -42.74 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 65.15 110.909 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.32 -29.76 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 72.35 111.131 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.78 -48.86 17.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 55.23 111.075 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 57' ' ' PHE . 3.1 pp -67.91 -39.42 83.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.91 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.564 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.7 t80 -66.74 -44.09 82.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 64.21 110.841 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.04 -39.08 66.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 72.13 111.09 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -83.63 -2.04 55.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 64.31 110.914 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -62.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 44.24 110.873 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.06 18.8 8.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.833 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.0 m -163.71 138.05 5.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.845 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -35.8 77.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.496 . . . . 74.55 110.911 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -34.66 57.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 72.4 110.898 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -74.94 -31.26 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 70.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -71.07 -54.65 10.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 71.32 110.936 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.8 ptt? -62.71 -42.14 99.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 54.15 110.88 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.48 -27.91 69.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 54.43 110.865 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.73 -53.2 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.876 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 74' ' ' VAL . 5.6 ptt? -69.7 -43.74 71.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 71.34 110.886 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -60.8 -30.29 69.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 73.44 110.865 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.9 tt0 -77.69 -38.13 48.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.898 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -37.66 73.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 70.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.569 ' CG1' HD23 ' A' ' 24' ' ' LEU . 35.4 m -78.17 -35.72 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 72.02 111.136 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -38.93 89.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.23 111.129 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 77' ' ' MET . 11.0 p -76.23 -42.57 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 74.41 111.132 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.456 ' N ' HG13 ' A' ' 76' ' ' VAL . 24.7 mmt -68.6 -53.77 20.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 75.43 110.86 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 27' ' ' VAL . 14.7 ttt-85 -58.33 -40.79 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.884 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -60.07 -53.37 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.881 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.518 ' OG1' HD12 ' A' ' 31' ' ' ILE . 1.1 p -56.49 -25.41 51.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.52 111.146 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.404 ' O ' HD22 ' A' ' 34' ' ' LEU . 1.4 t80 -75.22 -39.21 60.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 65.44 110.898 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -71.92 -22.88 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.3 110.908 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.75 -43.58 16.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.24 111.138 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.578 ' CB ' HD21 ' A' ' 34' ' ' LEU . 3.3 mtt85 -68.24 -30.82 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.87 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.557 ' O ' HG22 ' A' ' 89' ' ' THR . 20.6 ptmt -78.61 -31.91 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 72.5 110.942 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.9 m-20 -58.63 -43.75 89.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.911 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.05 -35.05 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 45.22 111.067 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 84' ' ' ARG . 87.8 t -71.36 -61.48 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 72.12 111.104 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 85' ' ' LYS . 12.1 t -56.07 -29.32 60.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 72.33 111.116 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 86' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.071 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.63 HG22 ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.782 0.325 . . . . 72.01 111.183 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 179.03 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.908 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -65.14 -42.29 93.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 65.31 110.844 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.63 ' HE3' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -65.92 -35.09 79.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 51.21 110.874 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.69 -19.36 49.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 73.24 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.3 t -116.32 -13.53 11.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 61.32 111.146 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 9' ' ' LYS . 10.9 mt -51.15 132.55 28.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.85 171.61 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 70.43 110.908 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -77.21 -21.6 53.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 53.31 110.88 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.36 -57.38 9.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 71.14 111.094 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -55.24 -30.84 60.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 74.53 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -69.7 -44.47 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 73.33 110.868 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.44 -34.68 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.25 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -74.79 -36.79 62.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.52 110.908 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -47.58 84.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 72.4 110.85 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.7 t -67.93 -43.78 85.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 75.14 111.082 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -62.22 -44.75 95.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 74.2 110.896 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.69 -42.62 95.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 21.32 112.477 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD23 HG12 ' A' ' 74' ' ' VAL . 27.5 mt -66.3 -32.71 74.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 75.11 110.917 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -55.24 14.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 64.01 110.959 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -56.84 -38.34 72.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 72.51 110.934 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 78' ' ' ARG . 14.1 t -74.71 -60.87 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 75.02 111.092 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 45' ' ' ILE . 79.7 mt -51.26 -46.3 62.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.936 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -65.51 -30.12 70.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.33 110.879 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -53.51 55.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 74.41 110.883 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD12 ' OG1' ' A' ' 80' ' ' THR . 11.0 tt -75.91 -34.17 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.106 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.569 ' CB ' HD11 ' A' ' 45' ' ' ILE . 20.1 t-20 -65.91 -23.16 66.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.886 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.7 m -82.14 -29.62 31.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 64.41 111.154 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 81' ' ' TYR . 59.3 mt -61.11 -47.44 86.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 72.35 110.926 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -162.95 19.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.906 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -90.11 -3.17 73.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.768 -0.729 . . . . 74.11 112.478 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.97 -44.07 1.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 62.43 112.532 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m 73.1 -68.18 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.89 0.376 . . . . 74.24 110.894 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -48.11 67.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 62.1 110.871 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.86 0.11 41.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.867 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 ' O ' HG12 ' A' ' 45' ' ' ILE . 45.7 m -52.36 -60.37 3.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.139 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -44.63 -36.84 3.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 75.2 111.107 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.75 -48.14 23.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.832 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 47' ' ' ILE . 4.2 mttt -61.83 -54.38 42.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.34 110.907 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 28' ' ' LEU . 5.7 mm -60.25 -30.21 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 64.34 111.111 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -64.23 -53.9 41.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 75.4 110.882 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 44' ' ' LYS . 2.6 pp -76.77 -31.11 19.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.123 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -69.81 -54.89 11.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.869 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.58 76.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.09 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.63 -52.57 64.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 62.04 110.882 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -61.19 -46.01 92.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.873 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.14 -51.73 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.893 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' HA ' HD21 ' A' ' 56' ' ' LEU . 4.0 tm-20 -53.38 -45.51 69.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 60.1 110.916 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -29.87 70.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 50.45 111.096 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.83 -49.5 17.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 73.41 111.113 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 53' ' ' GLU . 1.3 pp -68.8 -36.14 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.886 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -71.09 -42.77 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.01 110.922 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.02 -35.14 64.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 44.2 111.08 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt -90.38 -1.92 57.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 70.42 110.869 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.66 -71.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 60.51 110.838 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' O ' HG21 ' A' ' 6' ' ' VAL . 0.5 OUTLIER 63.82 15.48 9.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 65.44 110.858 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.13 148.79 11.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 70.52 110.905 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.04 -42.45 80.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 61.34 110.92 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -28.57 59.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 61.35 110.888 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -74.11 -40.27 62.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 53.13 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.29 -48.51 79.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 74.03 110.898 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -70.59 -30.49 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 62.41 110.897 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -73.24 -32.35 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.21 110.868 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.4 p -74.54 -45.54 44.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.1 110.888 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.496 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -70.62 -36.0 73.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.52 110.847 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -70.75 -27.75 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.297 -0.41 . . . . 73.33 110.875 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 76' ' ' VAL . 36.0 mt-10 -77.54 -45.76 24.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 75.4 110.857 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -63.36 -37.57 87.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 73.52 110.899 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD23 ' A' ' 24' ' ' LEU . 29.8 m -77.34 -35.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.139 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.63 90.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 65.2 111.079 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 ' N ' ' A' ' 77' ' ' MET . 11.1 p -76.07 -42.51 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 72.44 111.173 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.457 ' N ' HG13 ' A' ' 76' ' ' VAL . 12.7 mmt -67.71 -52.48 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 64.42 110.874 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.459 ' N ' HG13 ' A' ' 27' ' ' VAL . 22.0 ttt-85 -59.08 -41.39 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 71.04 110.886 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -59.66 -48.91 79.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 71.01 110.931 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.427 ' OG1' HD12 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -61.22 -24.37 66.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 75.31 111.115 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' HD11 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -74.73 -45.57 43.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.898 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -68.85 -23.47 64.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 70.43 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.23 -44.91 12.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.135 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.42 -32.69 74.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.933 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.6 -26.49 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 70.02 110.849 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.27 -30.21 49.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 64.31 110.876 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -86.94 -33.64 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 62.22 111.107 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 -30.16 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 64.21 111.121 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.76 -31.36 63.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 35.15 111.126 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 61.42 111.116 179.888 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 71.24 111.105 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -149.47 -45.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.909 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.525 ' HA ' HG22 ' A' ' 11' ' ' THR . 3.3 m-20 -122.28 -27.47 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 55.44 110.834 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -28.08 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 72.22 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -83.07 -25.03 32.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.243 -0.435 . . . . 65.24 110.86 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 8' ' ' ASP . 13.9 t -94.52 21.97 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.43 111.156 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.07 143.37 55.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.942 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.85 176.52 5.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.895 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -75.38 -22.38 57.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.42 110.837 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -53.97 50.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.098 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -55.2 -29.5 58.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 70.13 110.918 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -70.32 -50.87 34.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.853 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.25 -34.39 77.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.433 . . . . 72.33 111.123 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -47.05 34.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 63.22 110.886 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.65 ' ND2' HD11 ' A' ' 56' ' ' LEU . 32.4 t30 -55.64 -52.99 61.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 71.24 110.902 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -63.4 -41.21 91.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 111.111 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -61.27 -46.73 89.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.71 -40.91 96.02 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 62.32 112.494 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 HG12 ' A' ' 74' ' ' VAL . 72.5 mt -71.79 -35.18 69.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 62.31 110.932 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.681 HD12 HG22 ' A' ' 45' ' ' ILE . 13.0 tp -63.61 -43.71 96.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.892 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.65 -33.95 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.01 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.801 HG21 ' HB ' ' A' ' 74' ' ' VAL . 37.4 t -77.12 -60.24 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.138 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.562 ' HB3' HD12 ' A' ' 45' ' ' ILE . 4.1 mm? -50.46 -39.29 47.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.929 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -73.49 -29.53 62.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 42.32 110.878 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.24 -49.81 74.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 50.23 110.864 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.79 HG22 ' HB2' ' A' ' 81' ' ' TYR . 2.0 pp -75.5 -33.33 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 60.24 111.161 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.571 ' CB ' HD11 ' A' ' 45' ' ' ILE . 10.7 t-20 -72.97 -25.16 60.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 44.55 110.9 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 35.1 m -84.61 -30.83 24.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 51.25 111.13 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.2 tp -59.55 -39.73 84.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 44.2 110.911 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -174.7 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 52.34 110.849 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -91.42 -8.43 64.22 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.758 -0.734 . . . . 42.25 112.504 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -44.38 0.99 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 61.23 112.476 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.93 -60.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.371 . . . . 65.13 110.833 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.88 -49.88 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 60.33 110.907 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.64 6.76 19.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' HG12 ' A' ' 45' ' ' ILE . 29.4 m -58.25 -61.31 2.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 72.01 111.095 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.7 -37.65 2.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 60.53 111.083 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.7 -47.36 26.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 61.04 110.861 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -61.66 -53.89 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.2 110.873 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.681 HG22 HD12 ' A' ' 25' ' ' LEU . 3.9 mm -60.8 -30.6 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 75.11 111.104 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -63.56 -53.52 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.89 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.97 -32.44 19.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 71.33 111.127 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.445 ' N ' HD12 ' A' ' 47' ' ' ILE . 10.2 m-70 -67.97 -54.66 16.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.877 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.84 79.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 72.42 111.113 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.31 -55.32 36.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.915 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -59.01 -45.15 91.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 73.45 110.884 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.32 -54.41 36.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 62.02 110.868 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' HA ' HD21 ' A' ' 56' ' ' LEU . 7.7 tm-20 -54.56 -45.51 73.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 75.4 110.919 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 -30.17 70.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.116 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.04 -49.19 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 75.25 111.094 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.65 HD11 ' ND2' ' A' ' 20' ' ' ASN . 1.6 pp -69.49 -31.98 70.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.14 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -75.46 -49.04 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.881 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -33.34 75.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 61.11 111.104 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -93.4 -2.13 55.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 61.41 110.882 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.56 121.97 14.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.873 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -84.4 -16.78 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 53.02 110.854 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -177.32 -177.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 71.13 110.877 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -61.16 -33.91 74.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 70.24 110.892 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -38.49 53.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 61.51 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -68.0 -31.0 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.894 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -72.74 -53.7 10.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.917 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -42.49 94.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 74.21 110.885 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -66.71 -25.88 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 60.1 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -73.57 -53.5 10.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.837 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -69.81 -41.86 74.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.11 110.911 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.408 ' HA ' HG22 ' A' ' 74' ' ' VAL . 10.0 t30 -62.93 -29.67 70.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 60.42 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.0 tt0 -78.79 -34.92 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 71.23 110.845 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -74.15 -33.75 63.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 64.14 110.86 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.801 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.1 m -77.59 -37.93 25.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 74.22 111.082 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.04 72.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.09 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 77' ' ' MET . 13.7 p -74.89 -42.19 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 71.24 111.113 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.46 ' N ' HG13 ' A' ' 76' ' ' VAL . 19.8 mmt -70.54 -55.54 8.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.865 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.487 ' HB2' HG22 ' A' ' 27' ' ' VAL . 14.2 ttt180 -55.23 -41.53 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.832 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -61.46 -51.61 67.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.35 110.911 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.94 -27.63 32.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 62.42 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.79 ' HB2' HG22 ' A' ' 31' ' ' ILE . 2.2 t80 -76.82 -37.93 54.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.96 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -71.12 -22.75 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 71.21 110.913 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -54.26 4.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.114 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 88' ' ' VAL . 50.8 mtp180 -58.55 -41.88 86.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 71.31 110.872 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -25.96 68.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 65.22 110.884 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.53 -31.03 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 75.32 110.889 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -76.61 -46.02 27.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 70.53 111.161 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 84' ' ' ARG . 91.3 t -63.23 -38.77 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.1 111.124 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.7 t -75.14 -29.65 60.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 70.53 111.19 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 71.51 111.085 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.786 0.327 . . . . 73.14 111.133 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 179.18 -33.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 64.34 110.94 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.738 ' O ' HG22 ' A' ' 11' ' ' THR . 0.9 OUTLIER -92.62 -24.22 18.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.847 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -25.97 39.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.41 110.856 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.25 -13.77 29.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 75.32 110.876 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.738 HG22 ' O ' ' A' ' 8' ' ' ASP . 3.7 t -77.57 -17.34 57.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.457 . . . . 65.04 111.148 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 12' ' ' LEU . 3.4 pp -81.98 125.26 30.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 75.52 110.915 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.11 -170.23 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 52.23 110.878 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -61.22 -22.21 64.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 70.03 110.879 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.25 -53.21 59.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 63.54 111.113 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -55.1 -29.48 57.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 62.44 110.892 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -69.78 -50.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 70.31 110.859 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.63 -35.02 79.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.126 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -75.5 -46.83 30.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.909 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.05 -52.99 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 55.02 110.852 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.64 -44.96 98.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.34 111.107 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -51.19 -49.13 61.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 71.3 110.915 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.34 -42.89 95.84 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.719 . . . . 71.3 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD23 ' CG1' ' A' ' 74' ' ' VAL . 48.7 mt -64.07 -37.08 86.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.864 0.364 . . . . 75.32 110.897 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.87 -47.71 76.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 72.31 110.933 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' MET . 56.2 mm-40 -59.4 -40.16 85.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.909 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.719 HG21 ' HB ' ' A' ' 74' ' ' VAL . 35.2 t -74.33 -57.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 63.33 111.146 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 48' ' ' HIS . 3.6 mp -52.81 -44.9 66.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.453 . . . . 51.2 110.883 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.405 ' HG2' ' O ' ' A' ' 26' ' ' GLN . 16.9 ptt? -66.07 -30.79 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.916 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -49.14 75.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 61.11 110.894 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.651 HD12 HG23 ' A' ' 80' ' ' THR . 10.6 tt -75.64 -34.39 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 64.42 111.136 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.707 ' HB3' HG23 ' A' ' 41' ' ' THR . 4.7 t-20 -71.79 -25.8 62.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.911 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 43.1 m -85.5 -29.98 23.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.157 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 85' ' ' LYS . 2.1 tp -60.78 -41.3 95.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 70.32 110.892 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -170.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.912 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -96.22 -2.25 60.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.756 -0.735 . . . . 74.31 112.508 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.47 -41.73 1.39 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.474 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m 74.75 -61.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 71.44 110.86 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.7 m -67.76 -50.13 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 70.33 110.854 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -83.53 2.94 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.506 . . . . 60.44 110.891 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.707 HG23 ' HB3' ' A' ' 32' ' ' ASN . 26.2 m -55.29 -62.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 74.35 111.131 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.77 -33.95 7.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 74.42 111.077 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -71.0 -51.21 26.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 64.41 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -64.11 -40.1 95.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp -64.4 -31.78 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 64.12 111.172 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.2 ttt-85 -70.88 -49.95 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.823 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -73.59 -31.83 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.4 111.122 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.511 ' CD2' HD21 ' A' ' 28' ' ' LEU . 3.4 t-160 -74.33 -56.2 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.884 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.05 -36.52 70.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 63.3 111.084 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -74.41 -49.43 22.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 75.4 110.931 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.28 -50.09 75.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 65.04 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' HD2' HD23 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -59.58 -46.51 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 60.45 110.892 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.586 ' OE1' HD11 ' A' ' 56' ' ' LEU . 6.9 tp10 -52.79 -46.05 67.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 72.41 110.861 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.48 -29.89 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 51.14 111.114 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.58 -49.34 16.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 72.02 111.101 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.1 pp -69.2 -35.88 76.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.876 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -70.99 -47.6 57.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.23 110.832 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.61 -30.64 69.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 43.54 111.082 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -94.81 -1.49 52.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -68.27 0.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 54.05 110.877 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.93 15.69 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 44.12 110.851 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.3 t -176.13 145.11 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 73.21 110.876 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.88 72.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.906 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -43.96 83.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -75.72 -31.13 59.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 74.43 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.86 -57.01 9.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.146 -0.479 . . . . 74.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -39.26 92.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 61.12 110.892 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -64.88 -30.39 71.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.872 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.4 m -73.6 -52.95 11.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.866 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.539 ' O ' HG13 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -67.56 -27.16 66.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.887 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -74.97 -31.59 61.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 55.32 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.46 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.0 tt0 -77.93 -34.95 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 73.1 110.891 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -73.4 -36.41 66.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.54 110.903 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.719 ' HB ' HG21 ' A' ' 27' ' ' VAL . 35.3 m -76.94 -37.1 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 64.32 111.09 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.19 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 71.11 111.08 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 77' ' ' MET . 14.8 p -77.6 -42.26 29.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 63.41 111.136 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 80' ' ' THR . 31.5 mmt -67.89 -52.23 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.864 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' N ' HG13 ' A' ' 27' ' ' VAL . 34.0 ttt180 -61.8 -35.52 78.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 72.24 110.873 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -62.8 -57.62 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 71.02 110.903 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.651 HG23 HD12 ' A' ' 31' ' ' ILE . 9.0 t -56.63 -24.08 45.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 55.43 111.163 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -72.29 -49.56 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.53 110.945 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -76.71 -23.4 53.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 73.11 110.878 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.2 m -80.62 -46.95 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 63.13 111.147 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -68.49 -36.46 78.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 70.44 110.87 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.607 ' HB3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -75.72 -25.93 57.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 73.33 110.921 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.82 -46.44 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 75.31 110.877 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.74 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 51.34 111.101 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.4 t -69.89 -61.72 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 45.34 111.123 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 t -57.59 -28.04 63.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.53 111.104 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.108 179.855 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.789 HG23 ' HE3' ' A' ' 9' ' ' LYS . 27.8 t . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.759 0.314 . . . . 71.4 111.107 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.474 ' HG3' HG12 ' A' ' 6' ' ' VAL . 18.3 mt-30 -146.41 -44.88 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.918 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -116.61 -30.17 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.34 110.856 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.789 ' HE3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -77.81 -28.08 50.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 64.34 110.92 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.1 p30 -75.08 -13.34 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.858 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -111.04 14.96 21.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.51 111.157 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -61.83 138.28 58.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 54.41 110.885 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.8 m -100.36 178.53 4.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 55.32 110.871 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -76.83 -21.99 54.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 63.13 110.891 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.88 -53.74 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.054 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -54.8 -29.86 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 71.45 110.881 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -69.36 -51.03 40.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 74.03 110.833 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.59 -37.66 88.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.01 111.103 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -73.27 -45.25 56.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 71.12 110.877 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -54.23 -52.91 59.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 62.34 110.852 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.36 -35.9 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.163 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -63.89 -39.6 94.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 71.04 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.97 -32.64 52.56 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.742 . . . . 74.22 112.484 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD23 ' CG1' ' A' ' 74' ' ' VAL . 33.1 mt -74.3 -41.75 60.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 73.14 110.873 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 tt -68.96 -51.93 34.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 72.14 110.893 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -58.36 -36.77 73.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 75.43 110.941 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 78' ' ' ARG . 12.4 t -77.3 -59.07 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 74.53 111.155 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD12 ' O ' ' A' ' 24' ' ' LEU . 12.7 mt -52.18 -39.18 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.94 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -75.06 -26.65 59.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.892 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -48.9 74.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.53 110.859 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.44 HD13 HG23 ' A' ' 80' ' ' THR . 3.8 tp -75.0 -34.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.24 111.147 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -72.1 -32.76 67.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 72.03 110.89 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.3 m -87.17 -31.95 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.141 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 34' ' ' LEU . 1.3 tp -52.89 -40.06 63.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.21 110.936 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -175.86 26.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.925 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.85 -22.46 75.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 71.4 112.477 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 22.4 78.97 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.729 . . . . 53.51 112.517 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -127.99 88.04 2.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.391 . . . . 73.22 110.831 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.92 -24.33 37.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 64.15 110.871 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.11 12.03 7.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.874 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 42' ' ' ALA . 1.9 t -44.66 -46.97 10.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 60.13 111.172 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 41' ' ' THR . . . -45.85 -39.2 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 55.15 111.094 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -46.79 24.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 61.24 110.887 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -54.7 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.92 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.407 ' N ' HD13 ' A' ' 45' ' ' ILE . 5.7 mm -61.5 -30.7 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 63.11 111.136 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.03 -53.62 52.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 62.53 110.853 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -77.39 -33.95 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 71.13 111.138 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.482 ' N ' HD12 ' A' ' 47' ' ' ILE . 16.2 m170 -66.59 -53.77 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.82 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.01 86.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 45.32 111.104 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -55.57 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 64.44 110.881 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -59.35 -35.35 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.42 110.898 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -68.38 -50.87 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.691 ' OE1' HD11 ' A' ' 56' ' ' LEU . 9.0 tp10 -52.75 -42.53 65.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.883 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.91 -29.73 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.15 111.081 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.06 -49.39 15.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 70.41 111.119 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.691 HD11 ' OE1' ' A' ' 53' ' ' GLU . 2.9 pp -67.27 -40.74 86.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 74.34 110.896 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 9.7 t80 -66.28 -44.35 83.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.898 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.48 -38.78 71.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 73.11 111.087 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -84.82 -1.57 56.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 64.24 110.892 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.47 -65.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 64.23 110.871 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 63.86 15.64 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 45.4 110.822 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 131.45 6.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 74.23 110.913 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -51.96 -34.33 41.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 71.32 110.884 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.65 -50.69 13.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.922 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.1 tp10 -59.38 -29.83 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.888 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -73.89 -57.74 3.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 71.55 110.932 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -61.64 -42.19 98.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 45.31 110.843 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -64.51 -29.47 70.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 73.5 110.847 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.0 t -70.33 -56.89 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 42.01 110.874 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.545 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -66.25 -41.73 89.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 62.34 110.875 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -60.07 -30.55 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.22 110.936 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.3 tt0 -78.18 -37.68 45.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 54.34 110.901 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -37.68 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.876 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.558 ' CG1' HD23 ' A' ' 24' ' ' LEU . 33.9 m -77.71 -36.37 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 74.15 111.103 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.93 -39.03 90.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 44.02 111.062 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 77' ' ' MET . 12.1 p -76.66 -42.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 61.33 111.114 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.465 ' N ' HG13 ' A' ' 76' ' ' VAL . 13.1 mmt -67.67 -53.35 28.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 64.45 110.89 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 11.0 ttt180 -60.09 -36.5 77.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.51 110.864 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -62.13 -56.14 21.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 73.41 110.934 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.44 HG23 HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -56.78 -23.76 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 70.21 111.103 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.406 ' O ' HD22 ' A' ' 34' ' ' LEU . 2.0 t80 -74.05 -48.05 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.919 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -70.93 -23.34 62.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.33 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 -46.02 14.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 51.35 111.115 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 88' ' ' VAL . 22.1 mtt180 -65.59 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.911 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 -25.84 34.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.891 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -70.33 -26.04 63.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 51.15 110.885 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.1 -35.15 18.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 73.21 111.109 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 84' ' ' ARG . 85.9 t -69.22 -30.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 73.21 111.143 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -29.19 62.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 75.51 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.099 179.851 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.674 HG12 ' HG3' ' A' ' 7' ' ' GLN . 21.5 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.728 0.299 . . . . 61.13 111.129 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.674 ' HG3' HG12 ' A' ' 6' ' ' VAL . 37.8 mt-30 -146.52 -44.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 61.21 110.909 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -115.42 -30.73 6.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 75.4 110.85 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.632 ' CE ' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -78.36 -28.71 47.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.852 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.25 -25.16 63.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 61.44 110.88 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 t -99.31 18.8 16.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.181 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.624 HD22 ' CG ' ' A' ' 16' ' ' GLU . 14.0 mt -72.65 139.8 47.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 52.44 110.917 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.0 -170.81 1.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 54.41 110.901 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -22.29 58.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.22 110.902 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.99 -55.3 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 72.05 111.103 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.624 ' CG ' HD22 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -54.98 -29.51 57.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 71.14 110.885 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 21' ' ' VAL . 56.6 mtt180 -71.93 -39.78 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 54.51 110.907 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.34 -33.77 73.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 70.13 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.55 110.882 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -33.44 70.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 65.33 110.877 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 17' ' ' ARG . 37.3 t -71.63 -47.32 58.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 53.4 111.118 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -55.33 -45.56 76.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.86 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.04 -45.18 89.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 71.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD23 ' CG1' ' A' ' 74' ' ' VAL . 57.5 mt -65.54 -34.74 78.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 61.41 110.891 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' CG2' ' A' ' 45' ' ' ILE . 0.6 OUTLIER -64.84 -51.65 60.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 74.01 110.885 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.41 -36.89 76.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 72.41 110.889 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.741 HG21 ' HB ' ' A' ' 74' ' ' VAL . 40.0 t -74.36 -60.01 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 73.21 111.159 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 24' ' ' LEU . 4.0 mm? -48.9 -46.68 43.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 71.1 110.896 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -65.22 -31.58 72.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 62.12 110.872 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -50.12 75.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 73.11 110.881 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.58 HD12 ' O ' ' A' ' 27' ' ' VAL . 1.1 mp -75.68 -43.41 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 72.44 111.134 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' HA3' ' A' ' 36' ' ' GLY . 1.5 t-20 -61.3 -25.42 67.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 74.35 110.89 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 25.5 m -84.22 -30.49 25.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 75.15 111.098 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 34' ' ' LEU . 2.7 tp -60.56 -39.71 88.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 51.12 110.925 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -174.89 26.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.904 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 32' ' ' ASN . . . -101.65 1.38 52.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 60.3 112.437 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.12 -43.33 0.95 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 63.31 112.493 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 41' ' ' THR . 1.0 OUTLIER 75.3 -60.11 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 73.44 110.871 -179.726 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.7 -40.07 17.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 51.51 110.87 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -83.61 10.12 9.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 61.45 110.862 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 38' ' ' SER . 46.8 p -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 71.23 111.098 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.34 -34.77 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 63.33 111.056 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.49 -51.36 15.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 70.14 110.856 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.408 ' O ' HG13 ' A' ' 47' ' ' ILE . 9.8 mttm -62.55 -45.51 92.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.868 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' CG2' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.8 -31.47 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 74.23 111.157 179.867 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.56 -50.36 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 61.14 110.882 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.485 HD12 ' N ' ' A' ' 48' ' ' HIS . 2.7 pp -76.19 -33.63 24.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 70.1 111.118 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.485 ' N ' HD12 ' A' ' 47' ' ' ILE . 14.4 m-70 -69.43 -55.17 11.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.11 110.875 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.58 -44.96 95.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.32 111.099 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -62.9 -55.37 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 63.23 110.835 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -57.39 -48.97 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 62.51 110.858 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -54.42 -51.28 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.876 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -53.53 -45.86 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.902 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.94 -30.57 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 64.53 111.112 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.28 -49.33 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 44.02 111.094 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.76 -31.73 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 55.41 110.938 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -75.68 -49.06 19.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.52 110.946 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.65 80.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 62.11 111.143 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -89.04 -9.99 49.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 54.52 110.922 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 121.58 6.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 64.44 110.832 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -87.44 -18.77 29.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.34 110.841 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.4 170.25 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 72.3 110.869 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -51.4 -33.94 32.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 45.32 110.907 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -33.28 57.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 74.13 110.918 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -31.6 62.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 64.23 110.911 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -70.45 -53.15 17.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.923 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -64.23 -42.04 96.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 74.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -68.13 -25.49 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 74.5 110.875 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.9 m -73.16 -51.53 17.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.64 ' O ' HG22 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -72.37 -41.92 65.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 73.33 110.874 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.1 t30 -61.89 -31.53 71.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -79.83 -31.9 40.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 73.02 110.882 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -36.91 56.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 73.53 110.891 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.741 ' HB ' HG21 ' A' ' 27' ' ' VAL . 26.5 m -75.91 -39.22 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 73.32 111.139 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.25 -39.24 78.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 51.34 111.093 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 8.1 p -74.56 -37.92 44.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.21 111.136 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.49 ' HB2' HG11 ' A' ' 27' ' ' VAL . 3.3 mmt -70.96 -54.78 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 62.33 110.899 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.618 ' HB3' HG22 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -58.34 -33.92 70.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 63.3 110.87 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -68.22 -43.07 78.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.932 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.63 -27.68 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.55 111.193 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.1 -45.73 25.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.15 110.924 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.24 -23.44 62.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 62.3 110.898 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.5 -46.59 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 70.05 111.153 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 88' ' ' VAL . 16.1 mtt85 -63.96 -36.47 84.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 72.02 110.873 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.503 ' O ' HG22 ' A' ' 89' ' ' THR . 0.1 OUTLIER -78.71 -25.95 44.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 60.21 110.887 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.49 -35.21 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 74.21 110.923 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.07 -35.35 18.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 64.44 111.136 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 84' ' ' ARG . 86.6 t -62.89 -47.06 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 73.43 111.085 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.503 HG22 ' O ' ' A' ' 85' ' ' LYS . 11.1 t -67.57 -29.77 69.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 74.11 111.172 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.072 179.891 . . . . . . . . 0 0 . 1 stop_ save_