data_2w0n_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 2w0n _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.44 132.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.0 100.46 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.16 136.48 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.42 132.6 53.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.524 ' O ' HG21 ' A' ' 31' ' ' VAL . 35.4 m -123.15 112.02 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -55.55 107.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 59.23 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -155.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.251 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.52 38.16 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.616 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.47 96.82 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' HG22 ' A' ' 37' ' ' VAL . 14.9 m -95.21 90.53 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.1 t -133.55 12.46 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.4 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -150.12 117.85 6.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.331 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.511 HD12 ' CG ' ' A' ' 45' ' ' GLN . 12.5 tt -112.39 149.32 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.86 152.19 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -58.64 -30.96 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -36.6 44.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.96 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.511 ' CG ' HD12 ' A' ' 40' ' ' ILE . 68.6 mt-30 -70.61 -31.96 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.09 -66.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.33 -60.55 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.38 91.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -153.75 -62.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -142.17 166.72 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.46 -25.72 16.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.21 -31.68 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -70.8 -41.08 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -30.65 68.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -49.48 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -171.61 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 71.76 46.01 0.4 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.37 171.24 14.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 94.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.7 m -139.29 -46.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.711 HD12 HG23 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -86.16 55.56 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -82.86 -25.31 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 64.38 121.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.0 t -101.39 146.36 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -145.9 175.15 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.15 -58.77 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.71 67.47 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.51 -28.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.18 -28.45 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.1 -29.71 67.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.7 -43.23 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -58.23 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -59.1 -31.5 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.643 HG12 ' HD3' ' A' ' 82' ' ' ARG . 27.6 t -62.59 -47.83 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -42.41 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -48.53 -47.43 39.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.901 0.382 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.7 149.14 25.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.59 65.95 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.557 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -121.72 140.08 31.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.515 0.198 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.81 -169.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.476 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.643 ' HD3' HG12 ' A' ' 75' ' ' VAL . 26.2 tpt180 -150.34 152.01 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 150.85 20.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.658 ' CB ' HD11 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.06 151.01 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.419 0.628 . . . . 0.0 112.029 -178.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.36 150.57 32.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.112 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' CG ' HG21 ' A' ' 88' ' ' THR . 14.4 tt0 -105.76 95.98 6.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 122.279 1.038 . . . . 0.0 111.794 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.768 HG21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -114.07 94.76 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 N-CA-C 100.874 -3.75 . . . . 0.0 100.874 172.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.492 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.7 117.21 33.52 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.557 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.577 HG22 HD12 ' A' ' 94' ' ' LEU . 26.2 pt -70.96 -38.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -153.88 69.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 t70 66.22 17.51 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.076 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 79.81 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.183 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.492 ' N ' ' HB ' ' A' ' 88' ' ' THR . 2.1 pt? -44.84 124.35 4.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.43 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.768 HD13 HG21 ' A' ' 87' ' ' ILE . 10.7 mt -102.61 121.75 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.244 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.658 HD11 ' CB ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -122.14 99.85 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.072 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.624 HD11 ' N ' ' A' ' 96' ' ' ILE . 3.1 mp -100.74 99.85 9.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.405 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -133.87 150.38 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.464 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -108.06 110.91 22.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 m -107.92 150.69 40.65 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.307 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HB2' HD11 ' A' ' 107' ' ' ILE . 62.9 Cg_endo -98.15 139.32 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.207 2.604 . . . . 0.0 112.387 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.35 139.65 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.11 142.06 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -157.17 -169.8 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.58 38.7 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.4 -132.9 3.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.66 132.74 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 100' ' ' PRO . 8.8 pt -128.68 132.97 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.233 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 109' ' ' GLY . 30.9 mt -115.24 158.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.458 ' N ' HG21 ' A' ' 108' ' ' ILE . . . 73.84 163.27 8.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.329 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -144.74 149.81 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 111.247 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 mt -101.21 140.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 122.53 43.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.136 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.8 m -100.07 123.16 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.69 143.41 45.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -124.2 100.67 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.903 0.382 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.99 60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.02 -164.24 14.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.408 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -111.66 101.98 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 t -141.32 114.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.86 51.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -115.39 131.93 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.74 76.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.2 t0 63.02 147.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.64 66.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.92 107.28 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.11 36.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -61.14 -31.18 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.71 111.65 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 tt -102.71 148.02 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.43 165.04 25.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -66.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.15 -28.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -71.77 -30.84 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.07 -30.33 66.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.98 -57.63 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -69.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.0 -178.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -131.55 63.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 153.71 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 169.79 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t 70.71 -63.04 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.81 -60.13 3.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -69.4 -36.64 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -82.26 -173.14 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 65.42 176.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -60.04 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mp 51.05 68.93 0.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.076 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.4 p -131.91 35.58 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.35 159.61 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 87' ' ' ILE . 2.9 mt -60.54 -40.03 90.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -65.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -125.49 144.23 50.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.75 102.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -152.48 102.09 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -164.91 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.44 41.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.35 -29.15 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.31 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.09 -31.06 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.2 -50.0 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 75' ' ' VAL . 17.4 t -58.41 -28.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 t -60.03 -22.05 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -75.83 -50.17 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.198 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 72' ' ' VAL . 31.2 m -59.0 -26.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.415 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.81 -53.36 15.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -60.92 -43.44 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.17 172.74 7.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.797 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.62 35.84 4.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.16 149.76 36.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.552 0.215 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.19 -171.13 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.687 ' HB2' HG13 ' A' ' 99' ' ' VAL . 8.9 tpt85 -150.14 150.66 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.41 150.57 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.31 150.98 21.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 111.45 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.85 150.16 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.271 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.498 ' CG ' HG21 ' A' ' 88' ' ' THR . 5.9 tt0 -106.28 95.38 5.72 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.211 1.005 . . . . 0.0 111.425 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.761 HG21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -111.05 94.72 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 172.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.498 HG21 ' CG ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -110.34 112.99 25.29 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.7 -0.8 . . . . 0.0 112.302 -174.191 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.629 HG22 HD12 ' A' ' 94' ' ' LEU . 21.3 pt -53.23 -40.07 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.618 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -121.67 -80.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.78 20.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.63 ' O ' HD22 ' A' ' 93' ' ' LEU . 29.6 mtt180 -94.6 -102.62 0.15 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.63 HD22 ' O ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER 159.54 124.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.761 HD13 HG21 ' A' ' 87' ' ' ILE . 10.0 mt -112.33 102.4 10.55 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.705 0.288 . . . . 0.0 110.644 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.615 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.8 pp -106.6 99.77 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.373 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 96' ' ' ILE . 3.2 mp -100.27 99.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -150.32 150.09 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.286 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.635 HG21 ' O ' ' A' ' 111' ' ' ILE . 26.3 m -105.03 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.687 HG13 ' HB2' ' A' ' 82' ' ' ARG . 35.6 m -134.6 149.0 69.68 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.385 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HB2' HD11 ' A' ' 107' ' ' ILE . 58.7 Cg_endo -98.78 100.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.266 2.644 . . . . 0.0 112.349 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.13 -178.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 68.55 51.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.69 ' HB3' HG21 ' A' ' 107' ' ' ILE . 20.4 t -159.77 127.42 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.58 -49.47 66.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.8 145.27 12.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.8 t 59.41 68.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.69 HG21 ' HB3' ' A' ' 103' ' ' SER . 11.7 pt -54.57 112.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.87 -63.04 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.52 -179.24 46.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -150.04 150.06 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.635 ' O ' HG21 ' A' ' 98' ' ' THR . 4.7 mt -99.84 130.51 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.692 ' HG ' ' HE2' ' A' ' 114' ' ' PHE . 89.8 p -99.84 132.55 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.58 102.92 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.692 ' HE2' ' HG ' ' A' ' 112' ' ' SER . 30.2 p90 -149.71 138.13 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.8 mtm105 -140.02 124.5 18.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.741 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.949 0.404 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.69 81.75 4.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 120.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.33 99.91 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.16 128.29 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.22 119.9 39.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -103.72 150.22 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.89 107.96 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.73 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.14 -82.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.945 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.44 -86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.446 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' CG ' HG21 ' A' ' 38' ' ' THR . 1.5 tp10 69.36 -65.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 67.45 27.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.2 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 HG21 ' CG ' ' A' ' 36' ' ' GLU . 68.1 p -65.58 -26.88 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -112.69 109.22 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 tt -123.6 143.9 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.12 166.39 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.26 -30.96 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.14 31.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.23 -54.41 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.29 -38.69 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.71 -59.06 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.2 -72.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.19 155.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -70.34 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.3 -166.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.211 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.96 34.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -150.13 -61.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -30.97 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.41 -44.21 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.76 -69.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -94.01 127.26 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -145.64 160.14 42.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -44.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.6 m 60.87 35.39 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.84 140.36 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' CD1' HG23 ' A' ' 87' ' ' ILE . 12.8 mt -115.61 -64.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -122.79 19.15 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 51.46 78.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t 62.65 172.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -85.4 -43.1 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.4 m -152.23 -56.64 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -58.45 122.95 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.16 -68.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.396 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.0 t -80.05 -34.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.503 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -41.86 62.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 75' ' ' VAL . 41.4 t -72.28 -21.81 20.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.372 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -55.41 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.979 0.418 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -63.71 -21.72 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.672 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 72' ' ' VAL . 9.0 p -46.48 -37.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.742 0.306 . . . . 0.0 111.595 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.79 -31.39 35.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.75 -63.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.61 41.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.302 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.33 173.42 5.82 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.7 -160.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.478 2.119 . . . . 0.0 112.442 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' HB2' HG13 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -150.15 150.6 31.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -99.39 151.07 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.593 ' CB ' HD11 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -98.75 151.16 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.419 0.628 . . . . 0.0 111.59 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.94 150.15 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.505 -178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.419 ' CG ' HG21 ' A' ' 88' ' ' THR . 18.2 tt0 -109.08 95.75 5.84 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.358 1.075 . . . . 0.0 111.401 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.774 HG21 HD11 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -114.52 94.6 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.128 -3.656 . . . . 0.0 101.128 173.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.598 ' HG1' ' CA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -109.17 100.91 10.0 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.956 -174.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.495 HG22 HD13 ' A' ' 94' ' ' LEU . 22.7 pt -47.77 -38.18 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.932 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.16 -44.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.598 ' CA ' ' HG1' ' A' ' 88' ' ' THR . 21.4 t70 -164.15 -39.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -70.09 98.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.22 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 2.5 pt? -49.52 132.25 20.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.774 HD11 HG21 ' A' ' 87' ' ' ILE . 18.3 mt -102.08 112.75 25.53 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 110.694 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -120.15 99.8 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.998 0.428 . . . . 0.0 110.691 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.615 HD11 ' N ' ' A' ' 96' ' ' ILE . 3.2 mp -109.5 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.714 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -128.33 150.45 50.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.7 p -112.2 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 82' ' ' ARG . 22.8 m -104.15 150.18 38.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -98.58 112.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.14 2.56 . . . . 0.0 112.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.34 141.12 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 133.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 m -96.66 127.47 42.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 59.45 161.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.13 -79.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.532 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.7 t -105.16 71.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.88 72.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 109' ' ' GLY . 0.9 OUTLIER -119.04 -44.86 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 108' ' ' ILE . . . -82.87 -179.49 52.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.87 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -100.49 150.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.72 129.3 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -100.23 140.83 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.08 108.98 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -123.73 147.84 47.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.3 132.87 38.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.66 -146.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.73 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.59 100.09 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.246 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.33 123.11 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.11 150.08 46.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.281 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.67 150.11 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.996 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -49.99 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -67.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.47 -31.48 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.16 -140.77 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 62.45 118.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 39' ' ' LEU . 21.2 t -115.65 -56.76 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 39' ' ' LEU . 2.3 p 69.45 -61.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.423 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' O ' HG11 ' A' ' 37' ' ' VAL . 2.8 mp -108.55 150.02 28.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.612 HG22 HE21 ' A' ' 45' ' ' GLN . 9.3 tt -136.8 145.24 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -67.68 169.82 8.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.754 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.45 -56.63 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.47 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.63 68.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.23 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.612 HE21 HG22 ' A' ' 40' ' ' ILE . 16.7 mt-30 -68.21 -26.6 65.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.167 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.96 -27.4 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -57.33 12.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.52 -62.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -174.31 160.55 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.5 66.08 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -166.06 154.4 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -104.6 -164.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.49 -67.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -40.25 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.9 150.56 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 61.69 54.23 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 -172.54 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.67 99.69 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 m -87.04 -63.71 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -83.54 162.46 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 87' ' ' ILE . 12.9 mt -92.3 179.57 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.6 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -173.87 149.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -109.05 68.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.22 40.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 145.17 49.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.13 83.94 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.32 -33.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.45 -31.88 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -60.35 -54.69 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.27 -28.89 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -72.87 -30.65 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.79 -51.48 40.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.42 -47.96 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.76 -34.75 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.756 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -44.91 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.27 -33.54 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.734 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.95 53.55 3.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.591 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.54 HG21 ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -144.48 139.73 15.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HD2' HG21 ' A' ' 80' ' ' THR . 61.2 Cg_endo -73.07 96.42 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.439 2.093 . . . . 0.0 112.34 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.91 135.86 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 99.34 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.61 99.13 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.397 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.09 150.23 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.42 ' HG3' HG23 ' A' ' 88' ' ' THR . 3.5 tt0 -132.19 96.02 3.79 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.806 1.289 . . . . 0.0 112.064 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.791 HG21 HD11 ' A' ' 94' ' ' LEU . 2.7 mt -128.26 94.38 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 172.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.49 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -106.11 126.55 52.35 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.697 -173.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.699 HG22 HD13 ' A' ' 94' ' ' LEU . 35.5 pt -87.74 -34.39 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.06 63.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 t0 60.81 19.58 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -128.84 87.32 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.49 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -41.99 136.37 2.13 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.436 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.791 HD11 HG21 ' A' ' 87' ' ' ILE . 9.7 mt -99.73 99.61 10.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.645 0.259 . . . . 0.0 110.876 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.19 111.94 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.607 ' N ' HD11 ' A' ' 96' ' ' ILE . 1.7 mp -98.81 150.23 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.469 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -99.26 128.88 45.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.152 0.501 . . . . 0.0 111.721 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 112' ' ' SER . 24.9 p -147.19 99.9 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.289 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 100' ' ' PRO . 2.8 t -99.88 144.85 29.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.572 ' HB2' HG23 ' A' ' 107' ' ' ILE . 51.2 Cg_endo -98.11 149.43 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.007 2.472 . . . . 0.0 112.266 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.9 144.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t 56.76 175.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -102.33 83.16 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.46 -92.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.5 132.24 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.572 HG23 ' HB2' ' A' ' 100' ' ' PRO . 29.6 mt -103.99 130.16 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.99 103.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.34 122.27 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.96 147.1 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.36 148.55 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.475 ' HA ' HG23 ' A' ' 98' ' ' THR . 0.4 OUTLIER -118.91 142.93 47.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.0 m -128.44 100.75 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -105.78 132.0 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -143.9 99.89 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.71 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.6 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.856 0.36 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.55 -67.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.48 -146.9 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.641 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.55 108.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 111.078 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 111' ' ' ILE . 43.6 t -144.8 140.17 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 138.19 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.11 150.36 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -55.75 -48.77 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -93.48 -67.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 124.0 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.7 -52.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 58.83 32.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -40.94 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -118.98 118.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 ' CG ' ' A' ' 45' ' ' GLN . 9.5 tt -126.61 149.92 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.7 163.5 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.32 -71.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.78 -27.14 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.459 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.67 76.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.203 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.447 ' CG ' HD12 ' A' ' 40' ' ' ILE . 46.3 mt-30 -60.85 -26.69 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.26 -29.21 46.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.07 -55.73 20.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -69.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -174.26 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 32.4 p90 -105.95 60.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -174.44 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.38 -37.19 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -113.87 -39.43 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -58.37 -39.9 80.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.955 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.761 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -83.58 -44.06 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.95 130.05 34.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.711 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.84 117.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.69 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.48 129.51 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -76.71 175.05 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.2 m -120.74 -56.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.846 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -81.56 122.27 27.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 t -176.72 152.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.28 74.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.9 156.9 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.2 73.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -81.86 -29.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.69 -34.84 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.97 -39.99 94.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.81 -30.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.4 t -61.23 -24.31 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -57.38 -33.44 67.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 82' ' ' ARG . 34.4 t -53.93 -53.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.191 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 ' HG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -66.69 -28.22 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -67.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.32 -48.2 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.17 -15.64 10.89 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.885 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.6 p -57.81 109.83 2.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 122.843 -0.21 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.03 111.38 2.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.49 2.127 . . . . 0.0 112.564 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HG2' HG12 ' A' ' 75' ' ' VAL . 14.3 ptm180 -147.35 145.59 29.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.256 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.52 99.06 8.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 0.0 111.601 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.18 97.64 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.214 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -152.58 150.39 29.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.339 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -144.5 95.75 2.76 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.882 1.325 . . . . 0.0 111.825 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.782 HG21 HD13 ' A' ' 94' ' ' LEU . 1.4 mt -126.39 94.45 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 100.393 -3.929 . . . . 0.0 100.393 172.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.543 ' HG1' ' CA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -107.08 84.64 2.01 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.95 -174.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.15 -33.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.907 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.79 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.763 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.543 ' CA ' ' HG1' ' A' ' 88' ' ' THR . 2.4 p-10 -159.67 -41.95 0.05 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.93 105.14 6.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.493 ' H ' HD21 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -42.89 142.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.158 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 87' ' ' ILE . 20.8 mt -99.47 108.49 20.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.721 0.296 . . . . 0.0 111.145 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.16 104.63 12.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.11 0.481 . . . . 0.0 109.934 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.638 HD11 ' N ' ' A' ' 96' ' ' ILE . 2.7 mp -98.91 146.26 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.094 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -98.77 114.16 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.223 0.535 . . . . 0.0 111.835 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.487 ' HG1' HD12 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -134.52 100.87 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.125 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.4 p -99.6 143.69 26.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.532 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.625 ' HB2' HD13 ' A' ' 107' ' ' ILE . 54.4 Cg_endo -98.48 150.17 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.243 2.629 . . . . 0.0 112.364 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -49.08 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -54.86 109.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -148.4 136.76 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.67 131.25 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -108.41 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 107' ' ' ILE . 10.1 p -58.36 159.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.667 ' O ' HD12 ' A' ' 108' ' ' ILE . 9.9 tt -159.54 118.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 107' ' ' ILE . 19.3 mm -138.09 151.48 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.15 143.54 2.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.6 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.62 148.3 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 29' ' ' VAL . 3.2 mp -101.66 142.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 137.67 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.9 m -133.18 130.3 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -137.12 116.77 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -149.66 100.35 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -96.27 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.4 171.54 26.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -133.85 125.72 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.32 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -149.75 105.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.07 141.3 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 110' ' ' ALA . 3.6 m -125.51 149.89 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.35 63.68 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t0 64.01 -77.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.21 72.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.03 111.77 3.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.64 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -84.35 -168.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.58 29.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -176.59 75.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mt -149.88 99.79 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 tt -150.13 145.35 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 146.23 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.86 -34.04 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.92 60.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.43 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -60.23 -32.5 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -69.58 -29.5 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.05 -31.51 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CG ' ' A' ' 55' ' ' ASP . 1.2 mp -77.5 -43.02 33.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t30 58.89 37.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -123.16 -69.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -167.11 165.4 15.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -104.01 30.55 5.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 m -110.27 -46.63 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -32.02 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' CG ' HD21 ' A' ' 48' ' ' LEU . 1.4 m-20 -60.47 -48.33 82.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.23 86.07 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -160.31 -176.72 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -53.97 126.49 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.37 49.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -129.03 136.65 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.14 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 87' ' ' ILE . 74.7 mt -77.36 -49.8 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.54 151.34 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -63.86 143.21 58.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.23 117.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -81.04 68.47 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -123.53 -47.0 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.57 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 72' ' ' VAL . 22.5 t -58.54 -45.77 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.66 -29.18 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.68 -57.3 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.7 p -58.09 -22.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -82.04 -22.77 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.97 -32.36 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 72' ' ' VAL . 12.4 p -63.54 -29.27 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.19 -28.4 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -28.76 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.337 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -95.13 128.02 41.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.75 62.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.2 p -56.76 123.95 61.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.09 122.45 4.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.64 2.227 . . . . 0.0 112.599 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' H ' HG13 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -150.09 133.07 16.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.81 101.16 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.28 99.34 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.519 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.04 150.39 30.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -133.59 95.85 3.57 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.575 1.179 . . . . 0.0 111.582 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.811 HG21 HD11 ' A' ' 94' ' ' LEU . 1.5 mp -120.61 94.64 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.43 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -108.28 104.41 13.79 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.69 -0.804 . . . . 0.0 112.201 -174.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.558 HG22 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.5 -25.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.404 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -143.68 -75.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.426 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.47 20.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.816 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -124.47 88.82 2.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.324 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.43 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.1 128.84 4.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.811 HD11 HG21 ' A' ' 87' ' ' ILE . 16.6 mt -99.54 100.25 11.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.637 0.256 . . . . 0.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.458 ' O ' HD11 ' A' ' 95' ' ' LEU . 2.1 pp -99.68 116.23 31.31 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.579 HD11 ' N ' ' A' ' 96' ' ' ILE . 1.5 mp -98.4 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.329 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -98.57 104.83 16.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.409 0.623 . . . . 0.0 112.03 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 112' ' ' SER . 23.4 p -142.96 99.51 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.647 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 82' ' ' ARG . 18.4 m -138.58 150.98 67.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.621 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.762 ' HB2' HD13 ' A' ' 107' ' ' ILE . 67.1 Cg_endo -98.57 115.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.313 2.675 . . . . 0.0 112.258 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.573 ' O ' HG21 ' A' ' 101' ' ' VAL . 13.2 p -93.32 20.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.431 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -78.95 141.48 37.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 p -58.78 157.89 8.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -58.19 176.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.75 79.83 0.99 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.91 77.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.762 HD13 ' HB2' ' A' ' 100' ' ' PRO . 3.6 tt -63.81 140.68 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.14 136.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.41 125.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -148.68 150.17 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 pt -105.56 137.12 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.441 ' HA ' HG23 ' A' ' 98' ' ' THR . 4.6 p -103.98 149.85 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -117.39 129.28 55.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -149.32 134.9 18.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -137.24 103.74 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.348 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 67.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.44 141.42 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.32 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.04 101.84 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -150.0 104.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.62 148.27 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 m -108.97 130.38 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.3 65.03 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.56 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.185 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -43.31 88.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 124.42 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.51 123.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.524 HG11 ' O ' ' A' ' 37' ' ' VAL . 19.8 t -138.45 36.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.761 HG22 HD13 ' A' ' 39' ' ' LEU . 3.1 t -78.43 -30.08 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.761 HD13 HG22 ' A' ' 38' ' ' THR . 2.0 mp -107.01 130.78 54.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.635 HD12 ' CG ' ' A' ' 45' ' ' GLN . 15.2 tt -108.07 148.9 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.14 -176.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.32 -61.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.87 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.47 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.327 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.635 ' CG ' HD12 ' A' ' 40' ' ' ILE . 49.6 mt-30 -78.38 -34.45 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.44 -24.29 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -61.83 2.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.39 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.61 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -174.78 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 60.83 166.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -157.44 30.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -168.56 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.31 -40.79 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -60.87 -31.05 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -113.78 -165.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 68.03 155.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 122.48 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.09 99.0 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.52 -168.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -61.52 171.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.22 -34.59 20.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.09 59.54 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.87 171.46 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 t -139.41 95.96 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.94 -27.98 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -135.94 -75.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -166.67 44.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.55 -39.32 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.244 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.37 -25.27 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.6 -42.31 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.617 ' O ' HG11 ' A' ' 75' ' ' VAL . 12.5 m -76.57 -26.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 m -56.61 -26.19 55.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.95 -23.23 52.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.617 HG11 ' O ' ' A' ' 72' ' ' VAL . 10.6 p -54.92 -37.41 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.217 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.48 -31.28 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -67.83 -53.71 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.84 -74.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.91 70.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.508 ' HG1' HG22 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -148.92 101.69 3.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.544 0.211 . . . . 0.0 111.061 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.14 111.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.565 2.177 . . . . 0.0 112.704 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 145.78 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -114.74 98.5 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.638 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.52 98.5 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.54 150.36 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.069 0.461 . . . . 0.0 111.981 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -146.11 95.17 2.58 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.558 1.17 . . . . 0.0 110.853 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.765 HG21 HD13 ' A' ' 94' ' ' LEU . 26.0 mt -121.31 94.44 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 172.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.565 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -104.71 89.55 3.22 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.97 -174.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.529 HG22 HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.11 -26.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.728 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -164.18 71.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.699 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 60.71 18.85 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.95 79.43 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.05 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.565 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -47.27 125.67 8.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.201 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.765 HD13 HG21 ' A' ' 87' ' ' ILE . 5.8 mt -99.22 143.84 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.0 0.429 . . . . 0.0 110.841 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.734 ' N ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -141.24 105.09 4.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.646 ' N ' HD11 ' A' ' 96' ' ' ILE . 1.7 mp -99.01 150.39 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.335 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -98.94 113.28 25.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.175 0.512 . . . . 0.0 111.874 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -135.98 99.72 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.137 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -104.1 150.52 38.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.528 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.76 ' HB2' HD13 ' A' ' 107' ' ' ILE . 61.1 Cg_endo -98.2 148.0 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.141 2.56 . . . . 0.0 112.372 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 m -52.15 131.07 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.344 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -82.78 75.04 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.4 p -83.62 164.23 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.87 -35.51 13.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 104.57 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.04 127.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.76 HD13 ' HB2' ' A' ' 100' ' ' PRO . 20.2 tt -89.9 130.1 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.6 tt -143.06 132.85 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.56 157.19 33.39 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.66 139.44 31.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.4 mt -102.55 146.69 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.221 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -112.75 147.43 36.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 m -147.1 132.5 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -142.15 118.55 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 103.71 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.688 0.28 . . . . 0.0 111.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.36 128.46 31.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.4 -150.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.384 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.86 113.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' VAL . 10.8 p -144.88 109.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.58 146.13 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.5 149.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.4 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.54 -72.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.56 -36.4 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.17 55.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.399 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -96.4 100.89 12.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.6 t -84.43 79.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 p -109.23 -23.04 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.318 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.87 146.77 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.72 140.62 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.47 159.66 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -60.53 -42.05 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.78 48.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.3 87.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.65 -30.44 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -70.08 -41.21 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.68 -32.45 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.596 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 71.27 -64.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.833 0.349 . . . . 0.0 110.62 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.73 142.27 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.699 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -98.92 67.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.29 -168.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.45 16.96 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -30.07 31.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.797 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -60.82 -40.74 93.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.75 163.6 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 63.12 -163.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 68.09 140.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -92.55 170.26 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.7 p -74.63 -73.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 t -60.43 140.45 57.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.588 HD13 HG23 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -110.91 101.98 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.91 99.09 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -74.45 73.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 53.79 60.51 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -151.95 124.46 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t 61.01 173.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -106.0 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 72' ' ' VAL . 6.5 m -73.02 -23.23 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.9 m -72.44 -25.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.6 -42.76 67.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 69' ' ' VAL . 17.1 m -67.15 -23.39 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -22.15 44.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -51.03 -27.47 8.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.306 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -58.18 -27.79 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -79.57 -31.47 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -65.57 -55.13 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.24 -30.96 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.86 45.78 5.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 103.5 50.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.453 0.168 . . . . 0.0 111.049 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 122.78 12.3 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.403 2.069 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.57 149.75 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -124.13 98.82 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.027 0.441 . . . . 0.0 111.732 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.36 98.62 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.799 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.4 150.32 30.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.774 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' HG23 ' A' ' 88' ' ' THR . 7.2 tt0 -144.34 95.68 2.75 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.706 1.241 . . . . 0.0 111.395 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.782 HG21 HD13 ' A' ' 94' ' ' LEU . 1.6 mp -123.38 94.79 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 100.692 -3.818 . . . . 0.0 100.692 173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.415 HG23 ' HG3' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -107.94 89.81 3.11 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.957 -174.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 94' ' ' LEU . 26.5 pt -50.06 -40.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.09 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -116.14 -48.34 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.973 0.416 . . . . 0.0 111.051 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -174.51 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.476 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.67 100.01 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.657 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.05 136.36 2.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 87' ' ' ILE . 9.9 mt -99.47 130.15 45.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.337 . . . . 0.0 110.793 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -123.32 109.31 13.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.288 179.03 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.616 ' N ' HD11 ' A' ' 96' ' ' ILE . 1.7 mp -98.84 150.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.139 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -98.74 133.91 42.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.298 0.571 . . . . 0.0 112.015 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.0 p -149.64 99.64 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.17 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.23 151.0 37.62 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.645 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.739 ' HB2' HD12 ' A' ' 107' ' ' ILE . 44.3 Cg_endo -97.59 109.14 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.168 2.578 . . . . 0.0 112.373 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 100' ' ' PRO . 27.1 m 47.14 -176.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.792 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -121.41 32.65 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.0 t -133.31 -178.23 4.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -130.31 125.56 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 137.36 -94.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.19 120.36 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 100' ' ' PRO . 37.6 mt -108.23 112.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.64 -66.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.9 162.07 14.78 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.53 138.04 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.96 137.7 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.83 143.43 44.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.4 m -109.93 134.0 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -141.21 139.5 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -148.76 119.52 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 35.06 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.37 168.88 36.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -125.73 103.51 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -149.87 107.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.59 139.01 49.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 110' ' ' ALA . 33.9 m -113.48 149.44 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.69 64.55 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.176 0.512 . . . . 0.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 52.25 26.49 4.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.343 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -151.75 -75.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 50.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -91.0 82.32 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 m -75.8 137.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t 174.51 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.83 117.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 tt -142.35 145.95 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.65 158.99 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -64.98 -41.9 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.15 61.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.64 94.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.47 -35.73 68.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -31.89 72.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -34.55 78.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -75.44 -34.02 60.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 60.48 166.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 63.53 128.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 60.82 -172.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -65.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -71.78 -30.96 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.21 -32.88 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.32 -72.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.49 86.22 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -80.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -177.11 34.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.072 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.3 p 52.71 -86.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.353 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.663 ' HG1' ' CE1' ' A' ' 64' ' ' HIS . 4.7 p -152.17 85.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.765 0.316 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 87' ' ' ILE . 83.8 mt 60.48 -179.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -83.37 78.16 9.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.663 ' CE1' ' HG1' ' A' ' 61' ' ' THR . 5.3 m170 -66.53 127.7 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -115.7 -178.82 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -78.43 73.49 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -115.69 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -150.51 39.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.56 -42.16 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.3 -30.97 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.87 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -79.26 -36.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -31.04 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.053 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.28 -53.01 62.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.83 -38.77 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.22 -30.83 60.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.35 -61.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.6 -32.06 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.32 38.84 6.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.592 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -99.71 99.37 8.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.519 0.199 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.84 104.12 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.404 2.069 . . . . 0.0 112.51 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 137.55 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.413 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -105.38 99.39 9.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.441 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.67 98.75 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.359 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -151.42 150.21 30.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.762 0.315 . . . . 0.0 111.21 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.74 95.98 2.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.811 1.291 . . . . 0.0 112.083 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.812 HG21 HD13 ' A' ' 94' ' ' LEU . 1.1 mm -127.03 94.41 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 N-CA-C 100.224 -3.991 . . . . 0.0 100.224 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.562 ' HG1' ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -104.36 94.08 5.15 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.142 -174.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.407 HG22 HD12 ' A' ' 94' ' ' LEU . 25.0 pt -51.43 -41.23 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -62.24 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.562 ' HA ' ' HG1' ' A' ' 88' ' ' THR . 38.2 m-20 -156.08 178.98 9.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.469 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -94.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.485 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER 172.04 -179.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 111.001 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 87' ' ' ILE . 70.8 mt -138.4 99.44 3.84 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.068 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.87 114.48 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.228 0.537 . . . . 0.0 109.936 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.586 HD11 ' N ' ' A' ' 96' ' ' ILE . 1.5 mp -98.63 150.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.065 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -98.75 118.56 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.308 0.575 . . . . 0.0 112.076 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.5 p -150.05 99.51 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -121.44 150.05 53.69 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.637 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.681 ' HB2' HD13 ' A' ' 107' ' ' ILE . 63.9 Cg_endo -98.87 150.02 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.288 2.659 . . . . 0.0 112.18 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.661 HG21 HD12 ' A' ' 111' ' ' ILE . 31.4 m -123.42 131.32 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -63.48 132.02 50.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 -70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -121.24 28.51 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.38 -84.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.69 135.05 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.681 HD13 ' HB2' ' A' ' 100' ' ' PRO . 15.4 tt -96.04 111.95 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.7 mm -119.41 -60.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.33 175.73 35.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.527 ' O ' HG21 ' A' ' 31' ' ' VAL . . . -149.87 134.51 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.661 HD12 HG21 ' A' ' 101' ' ' VAL . 3.7 mp -109.42 148.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.437 ' H ' ' HG ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -99.99 136.21 40.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -99.95 129.09 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.91 100.24 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -149.96 102.56 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.923 0.392 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.88 98.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.17 153.92 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 99.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -148.89 100.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.24 148.95 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 110' ' ' ALA . 2.7 m -112.81 100.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.24 75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.66 108.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.82 30.82 20.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.38 155.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.804 ' O ' HG23 ' A' ' 38' ' ' THR . 3.7 tp10 -101.52 -2.13 31.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.405 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.15 32.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.854 0.359 . . . . 0.0 111.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 36' ' ' GLU . 10.1 t 179.31 49.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tt -141.5 112.65 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 40' ' ' ILE . 13.6 tt -150.03 119.81 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.3 -175.82 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.028 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.29 -54.85 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.19 -28.54 58.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.7 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -77.94 -42.64 32.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -57.32 -25.44 59.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -63.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -166.18 163.7 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -115.13 114.54 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 23.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.76 -156.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -44.39 -29.69 0.72 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -50.8 -29.8 12.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.04 -56.1 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 45.69 -170.57 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.454 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.38 164.75 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -75.12 -78.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.52 101.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.8 t -63.63 171.3 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 m 65.42 125.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.53 67.31 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -83.88 166.66 17.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.43 101.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.774 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t 62.83 178.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -104.28 140.35 37.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.8 m -158.26 -63.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -176.28 45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.6 -29.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.4 m -59.47 -34.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.67 -31.68 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.4 -30.38 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -74.35 -30.99 62.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.2 -54.01 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.78 -44.6 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.64 -46.99 77.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -60.94 -50.99 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.16 -65.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.22 -130.83 3.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.469 0.176 . . . . 0.0 111.094 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.83 70.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.67 2.246 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 98.83 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.66 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.516 ' HB2' HG11 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -151.19 142.27 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.71 151.59 21.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.535 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -99.04 99.52 10.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.778 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.568 ' C ' HD11 ' A' ' 87' ' ' ILE . 1.1 tp10 -150.4 96.09 2.34 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 122.547 1.165 . . . . 0.0 111.909 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 94' ' ' LEU . 2.0 mp -123.1 93.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.596 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 172.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.534 ' O ' HG21 ' A' ' 88' ' ' THR . 1.0 OUTLIER -111.78 99.1 7.87 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.677 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.48 HG22 HD13 ' A' ' 94' ' ' LEU . 1.6 pp -79.59 111.94 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.598 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.17 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.431 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -131.46 -29.5 1.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -44.08 -40.95 5.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.71 0.291 . . . . 0.0 111.324 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 95' ' ' LEU . 5.0 tt 61.93 129.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -140.12 150.06 43.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.197 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -131.78 106.9 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.575 ' N ' HD11 ' A' ' 96' ' ' ILE . 3.6 mp -112.37 150.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.64 128.78 45.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.132 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -148.06 100.03 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -142.22 150.44 55.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -98.43 100.65 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.246 2.631 . . . . 0.0 112.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 102' ' ' ARG . 10.2 p -142.52 158.99 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.449 ' N ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -170.36 178.8 3.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -7.46 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -106.26 148.94 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.14 55.38 4.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.582 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.64 163.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 107' ' ' ILE . 6.6 tp -100.8 84.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.1 tp -126.7 126.05 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.67 -178.92 5.28 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.564 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -148.37 149.92 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -116.82 130.37 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.697 ' N ' HD12 ' A' ' 111' ' ' ILE . 19.1 p -113.42 136.19 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.4 m -107.16 125.98 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.79 145.54 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -149.7 128.15 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.503 -0.239 . . . . 12.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.3 94.27 3.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mtp -87.45 -71.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.98 128.77 1.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -151.06 77.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -62.79 -52.37 64.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 75.4 Cg_exo -48.3 -25.77 7.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.644 2.229 . . . . 0.0 112.684 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.197 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -80.26 -63.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.06 -29.84 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 m -88.78 56.89 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -34.11 36.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -82.07 -22.01 36.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.5 -51.57 26.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.183 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.68 -30.89 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -34.64 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -34.94 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -75.62 -35.61 60.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.81 -47.99 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.96 -29.73 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.95 -68.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p 55.44 -171.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.71 -66.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttm 57.54 49.65 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.44 132.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.0 100.46 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.16 136.48 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.42 132.6 53.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.524 ' O ' HG21 ' A' ' 31' ' ' VAL . 35.4 m -123.15 112.02 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -55.55 107.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 59.23 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -155.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.251 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.52 38.16 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.616 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.47 96.82 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' O ' HG22 ' A' ' 37' ' ' VAL . 14.9 m -95.21 90.53 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.1 t -133.55 12.46 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.4 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -150.12 117.85 6.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.331 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.511 HD12 ' CG ' ' A' ' 45' ' ' GLN . 12.5 tt -112.39 149.32 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.86 152.19 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -58.64 -30.96 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -36.6 44.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.96 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.511 ' CG ' HD12 ' A' ' 40' ' ' ILE . 68.6 mt-30 -70.61 -31.96 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.09 -66.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.33 -60.55 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.38 91.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -153.75 -62.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -142.17 166.72 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.46 -25.72 16.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.21 -31.68 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -70.8 -41.08 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -30.65 68.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -49.48 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -171.61 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 71.76 46.01 0.4 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.37 171.24 14.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 94.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.7 m -139.29 -46.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.711 HD12 HG23 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -86.16 55.56 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -82.86 -25.31 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 64.38 121.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.0 t -101.39 146.36 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -145.9 175.15 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.15 -58.77 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.71 67.47 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.51 -28.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.18 -28.45 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.1 -29.71 67.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.7 -43.23 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -58.23 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -59.1 -31.5 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.643 HG12 ' HD3' ' A' ' 82' ' ' ARG . 27.6 t -62.59 -47.83 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -42.41 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -48.53 -47.43 39.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.901 0.382 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.7 149.14 25.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.59 65.95 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.557 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -121.72 140.08 31.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.515 0.198 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.81 -169.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.476 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.643 ' HD3' HG12 ' A' ' 75' ' ' VAL . 26.2 tpt180 -150.34 152.01 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 150.85 20.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.658 ' CB ' HD11 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.06 151.01 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.419 0.628 . . . . 0.0 112.029 -178.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.36 150.57 32.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.112 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' CG ' HG21 ' A' ' 88' ' ' THR . 14.4 tt0 -105.76 95.98 6.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 122.279 1.038 . . . . 0.0 111.794 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.768 HG21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -114.07 94.76 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 N-CA-C 100.874 -3.75 . . . . 0.0 100.874 172.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.492 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.7 117.21 33.52 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.557 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.577 HG22 HD12 ' A' ' 94' ' ' LEU . 26.2 pt -70.96 -38.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -153.88 69.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 t70 66.22 17.51 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.076 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 79.81 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.183 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.492 ' N ' ' HB ' ' A' ' 88' ' ' THR . 2.1 pt? -44.84 124.35 4.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.43 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.768 HD13 HG21 ' A' ' 87' ' ' ILE . 10.7 mt -102.61 121.75 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.244 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.658 HD11 ' CB ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -122.14 99.85 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.072 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.624 HD11 ' N ' ' A' ' 96' ' ' ILE . 3.1 mp -100.74 99.85 9.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.405 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -133.87 150.38 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.464 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -108.06 110.91 22.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 18.8 m -107.92 150.69 40.65 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.307 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HB2' HD11 ' A' ' 107' ' ' ILE . 62.9 Cg_endo -98.15 139.32 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.207 2.604 . . . . 0.0 112.387 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.35 139.65 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.11 142.06 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -157.17 -169.8 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.58 38.7 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.4 -132.9 3.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.66 132.74 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.445 HD11 ' HB2' ' A' ' 100' ' ' PRO . 8.8 pt -128.68 132.97 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.233 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 109' ' ' GLY . 30.9 mt -115.24 158.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.458 ' N ' HG21 ' A' ' 108' ' ' ILE . . . 73.84 163.27 8.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.329 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -144.74 149.81 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 111.247 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 mt -101.21 140.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 122.53 43.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.136 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.8 m -100.07 123.16 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.69 143.41 45.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -124.2 100.67 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.15 125.24 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -93.82 109.56 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.1 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.485 -0.246 . . . . 12.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -72.96 106.85 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 ttt 60.2 78.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.53 -160.15 17.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.402 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.4 mt -117.11 25.51 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -59.11 1.08 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.62 -22.61 15.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.581 2.187 . . . . 0.0 112.627 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -34.69 68.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.33 -57.72 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -64.44 -64.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.8 t 62.19 66.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -69.02 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.25 -31.16 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -56.61 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.87 -34.83 75.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.27 -22.6 66.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -55.57 -28.07 52.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -33.37 71.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.89 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -31.03 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -35.36 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.24 -31.44 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.4 t -57.49 161.84 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.15 -67.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.26 36.65 20.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.99 60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.02 -164.24 14.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.408 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -111.66 101.98 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 t -141.32 114.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.86 51.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.7 m -115.39 131.93 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.74 76.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.2 t0 63.02 147.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.64 66.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.92 107.28 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.11 36.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -61.14 -31.18 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.71 111.65 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 tt -102.71 148.02 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.43 165.04 25.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -66.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.15 -28.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -71.77 -30.84 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.07 -30.33 66.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.98 -57.63 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -69.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.0 -178.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -131.55 63.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 153.71 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 169.79 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t 70.71 -63.04 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.81 -60.13 3.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -69.4 -36.64 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -82.26 -173.14 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 65.42 176.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -60.04 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.4 mp 51.05 68.93 0.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.076 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.4 p -131.91 35.58 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.35 159.61 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 87' ' ' ILE . 2.9 mt -60.54 -40.03 90.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -65.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -125.49 144.23 50.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.75 102.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -152.48 102.09 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -164.91 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.44 41.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.35 -29.15 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.31 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.09 -31.06 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.2 -50.0 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 75' ' ' VAL . 17.4 t -58.41 -28.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 t -60.03 -22.05 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -75.83 -50.17 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.198 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 72' ' ' VAL . 31.2 m -59.0 -26.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.415 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.81 -53.36 15.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -60.92 -43.44 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.17 172.74 7.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.797 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.62 35.84 4.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.16 149.76 36.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.552 0.215 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.19 -171.13 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.687 ' HB2' HG13 ' A' ' 99' ' ' VAL . 8.9 tpt85 -150.14 150.66 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.41 150.57 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' HB3' HD11 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.31 150.98 21.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 111.45 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.85 150.16 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.271 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.498 ' CG ' HG21 ' A' ' 88' ' ' THR . 5.9 tt0 -106.28 95.38 5.72 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.211 1.005 . . . . 0.0 111.425 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.761 HG21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -111.05 94.72 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 172.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.498 HG21 ' CG ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -110.34 112.99 25.29 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.7 -0.8 . . . . 0.0 112.302 -174.191 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.629 HG22 HD12 ' A' ' 94' ' ' LEU . 21.3 pt -53.23 -40.07 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.618 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -121.67 -80.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.78 20.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.63 ' O ' HD22 ' A' ' 93' ' ' LEU . 29.6 mtt180 -94.6 -102.62 0.15 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.63 HD22 ' O ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER 159.54 124.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.761 HD13 HG21 ' A' ' 87' ' ' ILE . 10.0 mt -112.33 102.4 10.55 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.705 0.288 . . . . 0.0 110.644 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.615 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.8 pp -106.6 99.77 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.373 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.614 HD11 ' N ' ' A' ' 96' ' ' ILE . 3.2 mp -100.27 99.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -150.32 150.09 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.286 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.635 HG21 ' O ' ' A' ' 111' ' ' ILE . 26.3 m -105.03 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.687 HG13 ' HB2' ' A' ' 82' ' ' ARG . 35.6 m -134.6 149.0 69.68 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.385 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' HB2' HD11 ' A' ' 107' ' ' ILE . 58.7 Cg_endo -98.78 100.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.266 2.644 . . . . 0.0 112.349 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.13 -178.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.0 ttp-105 68.55 51.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.69 ' HB3' HG21 ' A' ' 107' ' ' ILE . 20.4 t -159.77 127.42 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.58 -49.47 66.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.8 145.27 12.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.8 t 59.41 68.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.69 HG21 ' HB3' ' A' ' 103' ' ' SER . 11.7 pt -54.57 112.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.87 -63.04 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.52 -179.24 46.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -150.04 150.06 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.635 ' O ' HG21 ' A' ' 98' ' ' THR . 4.7 mt -99.84 130.51 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.692 ' HG ' ' HE2' ' A' ' 114' ' ' PHE . 89.8 p -99.84 132.55 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.58 102.92 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.692 ' HE2' ' HG ' ' A' ' 112' ' ' SER . 30.2 p90 -149.71 138.13 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.8 mtm105 -140.02 124.5 18.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.741 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -108.75 145.5 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt 57.02 34.29 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.113 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.104 0 N-CA-C 112.513 -0.235 . . . . 12.0 112.513 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 22.1 p-80 45.88 -167.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.747 0.308 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.514 ' HE1' ' OE2' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -152.12 158.34 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.51 -163.04 9.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -97.73 99.83 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.514 ' OE2' ' HE1' ' A' ' 3' ' ' MET . 10.3 mt-10 -63.31 -45.08 84.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.303 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 87.2 Cg_exo -47.42 -28.94 9.2 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.417 2.078 . . . . 0.0 112.582 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -81.96 -35.31 29.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -82.3 -41.99 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 tt -57.44 -29.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -126.27 57.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -65.6 -30.5 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.74 -30.49 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -57.56 -55.45 34.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -29.0 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.55 -23.6 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -55.4 -31.43 61.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.03 -29.16 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.63 -61.29 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -30.82 68.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -33.31 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -58.22 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t 62.74 54.82 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.435 HG21 ' HB2' ' A' ' 26' ' ' GLU . 44.7 mt 68.25 -68.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.33 28.5 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.623 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' HG21 ' A' ' 24' ' ' ILE . 2.7 mm-40 -78.69 81.75 4.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.008 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 120.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.33 99.91 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.16 128.29 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.22 119.9 39.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -103.72 150.22 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.89 107.96 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.73 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.14 -82.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.945 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.44 -86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.446 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' CG ' HG21 ' A' ' 38' ' ' THR . 1.5 tp10 69.36 -65.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 67.45 27.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.2 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 HG21 ' CG ' ' A' ' 36' ' ' GLU . 68.1 p -65.58 -26.88 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -112.69 109.22 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 tt -123.6 143.9 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.12 166.39 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.26 -30.96 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.14 31.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.23 -54.41 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.29 -38.69 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.71 -59.06 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.2 -72.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.19 155.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -70.34 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.3 -166.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.211 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.96 34.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -150.13 -61.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -30.97 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.41 -44.21 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.76 -69.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -94.01 127.26 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -145.64 160.14 42.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -44.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.6 m 60.87 35.39 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.84 140.36 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' CD1' HG23 ' A' ' 87' ' ' ILE . 12.8 mt -115.61 -64.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -122.79 19.15 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 51.46 78.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t 62.65 172.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -85.4 -43.1 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.4 m -152.23 -56.64 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -58.45 122.95 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.16 -68.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.396 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.0 t -80.05 -34.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.503 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -41.86 62.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.63 ' O ' HG13 ' A' ' 75' ' ' VAL . 41.4 t -72.28 -21.81 20.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.372 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -55.41 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.979 0.418 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -63.71 -21.72 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.672 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 72' ' ' VAL . 9.0 p -46.48 -37.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.742 0.306 . . . . 0.0 111.595 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.79 -31.39 35.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.75 -63.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.61 41.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.302 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.33 173.42 5.82 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.997 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -57.7 -160.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.478 2.119 . . . . 0.0 112.442 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' HB2' HG13 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -150.15 150.6 31.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -99.39 151.07 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.593 ' CB ' HD11 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -98.75 151.16 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.419 0.628 . . . . 0.0 111.59 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.94 150.15 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.505 -178.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' CG ' HG21 ' A' ' 88' ' ' THR . 18.2 tt0 -109.08 95.75 5.84 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.358 1.075 . . . . 0.0 111.401 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.774 HG21 HD11 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -114.52 94.6 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.128 -3.656 . . . . 0.0 101.128 173.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.598 ' HG1' ' CA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -109.17 100.91 10.0 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.956 -174.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.495 HG22 HD13 ' A' ' 94' ' ' LEU . 22.7 pt -47.77 -38.18 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.932 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.16 -44.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.598 ' CA ' ' HG1' ' A' ' 88' ' ' THR . 21.4 t70 -164.15 -39.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -70.09 98.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.22 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 2.5 pt? -49.52 132.25 20.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.774 HD11 HG21 ' A' ' 87' ' ' ILE . 18.3 mt -102.08 112.75 25.53 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 110.694 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.593 HD11 ' CB ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -120.15 99.8 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.998 0.428 . . . . 0.0 110.691 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.615 HD11 ' N ' ' A' ' 96' ' ' ILE . 3.2 mp -109.5 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.714 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -128.33 150.45 50.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.7 p -112.2 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 HG13 ' HB2' ' A' ' 82' ' ' ARG . 22.8 m -104.15 150.18 38.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -98.58 112.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.14 2.56 . . . . 0.0 112.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.34 141.12 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 133.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 m -96.66 127.47 42.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 59.45 161.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.13 -79.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.532 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.7 t -105.16 71.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.554 ' O ' HG22 ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.88 72.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 109' ' ' GLY . 0.9 OUTLIER -119.04 -44.86 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.42 ' N ' HG22 ' A' ' 108' ' ' ILE . . . -82.87 -179.49 52.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.87 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -100.49 150.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.72 129.3 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -100.23 140.83 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.08 108.98 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -123.73 147.84 47.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -146.53 138.2 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.13 168.75 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.168 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.451 -0.259 . . . . 12.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -151.37 113.62 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.41 85.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.54 -61.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt 58.85 58.15 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -61.62 -52.16 71.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 74.0 Cg_exo -49.25 -25.43 9.73 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.618 2.212 . . . . 0.0 112.544 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.89 -58.0 8.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.39 -35.18 75.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -58.09 -21.95 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -49.79 121.25 5.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.2 p -74.9 -28.89 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.263 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -41.69 75.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -28.53 54.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.84 -29.32 64.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -46.61 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -67.15 -42.11 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.8 -31.52 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.98 43.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -51.65 -32.04 27.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.43 -29.31 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -57.57 -26.2 61.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.96 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.426 HG21 ' HB2' ' A' ' 26' ' ' GLU . 4.2 mt -69.96 -44.12 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.16 30.12 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HB2' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -135.3 132.87 38.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.66 -146.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.73 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.59 100.09 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.246 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.33 123.11 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.11 150.08 46.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.281 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.67 150.11 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.996 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -49.99 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -67.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.47 -31.48 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.16 -140.77 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 62.45 118.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.529 HG11 ' O ' ' A' ' 39' ' ' LEU . 21.2 t -115.65 -56.76 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 39' ' ' LEU . 2.3 p 69.45 -61.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.423 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' O ' HG11 ' A' ' 37' ' ' VAL . 2.8 mp -108.55 150.02 28.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.612 HG22 HE21 ' A' ' 45' ' ' GLN . 9.3 tt -136.8 145.24 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -67.68 169.82 8.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.754 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.45 -56.63 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.47 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.01 -29.63 68.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.23 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.612 HE21 HG22 ' A' ' 40' ' ' ILE . 16.7 mt-30 -68.21 -26.6 65.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.167 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.96 -27.4 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -57.33 12.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.52 -62.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -174.31 160.55 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.5 66.08 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -166.06 154.4 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -104.6 -164.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.49 -67.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -40.25 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.9 150.56 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 61.69 54.23 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 -172.54 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.67 99.69 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 m -87.04 -63.71 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -83.54 162.46 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD1' HG23 ' A' ' 87' ' ' ILE . 12.9 mt -92.3 179.57 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.6 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -173.87 149.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -109.05 68.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.22 40.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 145.17 49.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.13 83.94 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.32 -33.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.45 -31.88 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -60.35 -54.69 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.27 -28.89 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -72.87 -30.65 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.79 -51.48 40.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.42 -47.96 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -59.76 -34.75 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.756 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -44.91 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.27 -33.54 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.734 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.95 53.55 3.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.591 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.54 HG21 ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -144.48 139.73 15.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HD2' HG21 ' A' ' 80' ' ' THR . 61.2 Cg_endo -73.07 96.42 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.439 2.093 . . . . 0.0 112.34 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.91 135.86 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 99.34 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.61 99.13 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.397 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.09 150.23 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.42 ' HG3' HG23 ' A' ' 88' ' ' THR . 3.5 tt0 -132.19 96.02 3.79 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.806 1.289 . . . . 0.0 112.064 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.791 HG21 HD11 ' A' ' 94' ' ' LEU . 2.7 mt -128.26 94.38 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 172.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.49 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -106.11 126.55 52.35 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.697 -173.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.699 HG22 HD13 ' A' ' 94' ' ' LEU . 35.5 pt -87.74 -34.39 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.06 63.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 t0 60.81 19.58 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -128.84 87.32 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.49 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -41.99 136.37 2.13 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.436 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.791 HD11 HG21 ' A' ' 87' ' ' ILE . 9.7 mt -99.73 99.61 10.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.645 0.259 . . . . 0.0 110.876 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.19 111.94 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.607 ' N ' HD11 ' A' ' 96' ' ' ILE . 1.7 mp -98.81 150.23 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.469 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -99.26 128.88 45.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.152 0.501 . . . . 0.0 111.721 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.475 HG23 ' HA ' ' A' ' 112' ' ' SER . 24.9 p -147.19 99.9 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.289 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 100' ' ' PRO . 2.8 t -99.88 144.85 29.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.572 ' HB2' HG23 ' A' ' 107' ' ' ILE . 51.2 Cg_endo -98.11 149.43 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.007 2.472 . . . . 0.0 112.266 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.9 144.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t 56.76 175.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -102.33 83.16 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.46 -92.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.5 132.24 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.572 HG23 ' HB2' ' A' ' 100' ' ' PRO . 29.6 mt -103.99 130.16 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.99 103.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.34 122.27 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.96 147.1 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.36 148.55 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.475 ' HA ' HG23 ' A' ' 98' ' ' THR . 0.4 OUTLIER -118.91 142.93 47.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.0 m -128.44 100.75 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -105.78 132.0 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -143.9 99.89 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.71 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -102.49 131.57 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt 58.89 43.27 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.532 -0.227 . . . . 12.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 63.95 30.58 14.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ptm -142.73 166.38 24.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.29 129.13 9.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' A' ' 8' ' ' TYR . 2.7 tp -115.81 124.14 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -81.36 -52.71 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 51.1 Cg_exo -55.36 -47.3 26.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.407 2.072 . . . . 0.0 112.157 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.548 ' HB2' HD22 ' A' ' 5' ' ' LEU . 31.0 t80 -63.74 -34.97 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mt -68.19 -22.6 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -97.39 30.7 2.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -82.12 -45.19 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 14' ' ' PHE . 4.6 pp -74.89 -30.19 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' N ' HD11 ' A' ' 13' ' ' LEU . 1.5 m-85 -68.33 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -33.5 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.75 -41.18 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -78.67 -26.19 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.28 -43.47 83.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.7 -30.69 41.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.1 mtt -68.97 -23.52 64.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.232 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -37.62 75.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -69.06 -61.83 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.28 111.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm 60.09 110.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -103.7 34.62 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.55 -67.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.48 -146.9 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.641 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.55 108.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 111.078 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 111' ' ' ILE . 43.6 t -144.8 140.17 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 138.19 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.11 150.36 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -55.75 -48.77 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -93.48 -67.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 124.0 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.7 -52.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG11 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 58.83 32.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -40.94 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -118.98 118.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 HD12 ' CG ' ' A' ' 45' ' ' GLN . 9.5 tt -126.61 149.92 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.7 163.5 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.32 -71.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.78 -27.14 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.459 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.67 76.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.203 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.447 ' CG ' HD12 ' A' ' 40' ' ' ILE . 46.3 mt-30 -60.85 -26.69 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.26 -29.21 46.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.07 -55.73 20.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -69.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -174.26 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 50' ' ' TYR . 32.4 p90 -105.95 60.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 -174.44 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.38 -37.19 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -113.87 -39.43 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -58.37 -39.9 80.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.955 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.761 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -83.58 -44.06 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.95 130.05 34.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.711 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.84 117.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.69 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.48 129.51 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -76.71 175.05 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.2 m -120.74 -56.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.846 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -81.56 122.27 27.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 t -176.72 152.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.28 74.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.9 156.9 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.2 73.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -81.86 -29.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.69 -34.84 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.97 -39.99 94.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.81 -30.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.4 t -61.23 -24.31 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -57.38 -33.44 67.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 HG12 ' HG2' ' A' ' 82' ' ' ARG . 34.4 t -53.93 -53.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.191 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 ' HG1' ' A' ' 98' ' ' THR . 0.5 OUTLIER -66.69 -28.22 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -67.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.32 -48.2 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 119.17 -15.64 10.89 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.885 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.6 p -57.81 109.83 2.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 122.843 -0.21 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.03 111.38 2.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.49 2.127 . . . . 0.0 112.564 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HG2' HG12 ' A' ' 75' ' ' VAL . 14.3 ptm180 -147.35 145.59 29.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.256 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.52 99.06 8.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 0.0 111.601 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.18 97.64 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.214 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -152.58 150.39 29.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.339 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -144.5 95.75 2.76 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.882 1.325 . . . . 0.0 111.825 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.782 HG21 HD13 ' A' ' 94' ' ' LEU . 1.4 mt -126.39 94.45 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 100.393 -3.929 . . . . 0.0 100.393 172.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.543 ' HG1' ' CA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -107.08 84.64 2.01 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.95 -174.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.574 HD11 HD12 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.15 -33.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.907 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.79 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.763 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.543 ' CA ' ' HG1' ' A' ' 88' ' ' THR . 2.4 p-10 -159.67 -41.95 0.05 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.727 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.93 105.14 6.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.493 ' H ' HD21 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -42.89 142.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.158 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 87' ' ' ILE . 20.8 mt -99.47 108.49 20.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.721 0.296 . . . . 0.0 111.145 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.16 104.63 12.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.11 0.481 . . . . 0.0 109.934 178.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.638 HD11 ' N ' ' A' ' 96' ' ' ILE . 2.7 mp -98.91 146.26 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.094 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -98.77 114.16 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.223 0.535 . . . . 0.0 111.835 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.487 ' HG1' HD12 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -134.52 100.87 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.125 179.366 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.4 p -99.6 143.69 26.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.532 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.625 ' HB2' HD13 ' A' ' 107' ' ' ILE . 54.4 Cg_endo -98.48 150.17 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.243 2.629 . . . . 0.0 112.364 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -49.08 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -54.86 109.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -148.4 136.76 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.67 131.25 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -108.41 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 107' ' ' ILE . 10.1 p -58.36 159.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.667 ' O ' HD12 ' A' ' 108' ' ' ILE . 9.9 tt -159.54 118.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 107' ' ' ILE . 19.3 mm -138.09 151.48 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.15 143.54 2.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.6 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.62 148.3 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 29' ' ' VAL . 3.2 mp -101.66 142.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 137.67 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.9 m -133.18 130.3 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -137.12 116.77 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -149.66 100.35 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -116.01 121.86 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -177.23 159.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.079 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.553 -0.219 . . . . 12.0 112.553 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -48.3 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 mtp -65.22 -53.73 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.53 84.67 1.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.13 36.75 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.45 -52.9 10.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 52.1 Cg_exo -54.4 -29.53 59.06 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.422 2.081 . . . . 0.0 112.171 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -74.45 -31.3 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -21.87 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.305 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.02 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.377 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 175.49 44.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -81.49 -46.57 14.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 -37.2 28.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -29.98 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -80.22 -29.75 38.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.73 -29.01 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.045 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -45.92 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -22.49 65.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.69 -35.86 61.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.379 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -78.8 -29.4 44.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.96 -24.36 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.174 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -55.21 -72.19 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.68 -168.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.12 118.16 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -89.33 52.97 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -96.27 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.4 171.54 26.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -133.85 125.72 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.32 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -149.75 105.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.07 141.3 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 110' ' ' ALA . 3.6 m -125.51 149.89 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.35 63.68 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t0 64.01 -77.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.21 72.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.03 111.77 3.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.64 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -84.35 -168.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.58 29.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -176.59 75.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mt -149.88 99.79 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 tt -150.13 145.35 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 146.23 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.86 -34.04 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.92 60.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.43 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -60.23 -32.5 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -69.58 -29.5 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.05 -31.51 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 HD21 ' CG ' ' A' ' 55' ' ' ASP . 1.2 mp -77.5 -43.02 33.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t30 58.89 37.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -123.16 -69.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -167.11 165.4 15.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -104.01 30.55 5.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 m -110.27 -46.63 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -32.02 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' CG ' HD21 ' A' ' 48' ' ' LEU . 1.4 m-20 -60.47 -48.33 82.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.23 86.07 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -160.31 -176.72 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -53.97 126.49 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.37 49.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -129.03 136.65 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.14 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' CD1' HG23 ' A' ' 87' ' ' ILE . 74.7 mt -77.36 -49.8 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.54 151.34 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -63.86 143.21 58.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.23 117.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -81.04 68.47 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -123.53 -47.0 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.57 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 72' ' ' VAL . 22.5 t -58.54 -45.77 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.66 -29.18 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.68 -57.3 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 75' ' ' VAL . 10.7 p -58.09 -22.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -82.04 -22.77 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.97 -32.36 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 72' ' ' VAL . 12.4 p -63.54 -29.27 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.19 -28.4 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -28.76 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.337 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -95.13 128.02 41.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.75 62.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.2 p -56.76 123.95 61.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.09 122.45 4.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.64 2.227 . . . . 0.0 112.599 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' H ' HG13 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -150.09 133.07 16.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.81 101.16 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.28 99.34 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.519 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.04 150.39 30.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -133.59 95.85 3.57 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.575 1.179 . . . . 0.0 111.582 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.811 HG21 HD11 ' A' ' 94' ' ' LEU . 1.5 mp -120.61 94.64 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.43 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -108.28 104.41 13.79 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.69 -0.804 . . . . 0.0 112.201 -174.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.558 HG22 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.5 -25.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.404 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -143.68 -75.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.426 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.47 20.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.816 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -124.47 88.82 2.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.324 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.43 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.1 128.84 4.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.811 HD11 HG21 ' A' ' 87' ' ' ILE . 16.6 mt -99.54 100.25 11.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.637 0.256 . . . . 0.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.458 ' O ' HD11 ' A' ' 95' ' ' LEU . 2.1 pp -99.68 116.23 31.31 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.579 HD11 ' N ' ' A' ' 96' ' ' ILE . 1.5 mp -98.4 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.329 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -98.57 104.83 16.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.409 0.623 . . . . 0.0 112.03 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.441 HG23 ' HA ' ' A' ' 112' ' ' SER . 23.4 p -142.96 99.51 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.647 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.436 HG13 ' H ' ' A' ' 82' ' ' ARG . 18.4 m -138.58 150.98 67.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.621 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.762 ' HB2' HD13 ' A' ' 107' ' ' ILE . 67.1 Cg_endo -98.57 115.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.313 2.675 . . . . 0.0 112.258 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.573 ' O ' HG21 ' A' ' 101' ' ' VAL . 13.2 p -93.32 20.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.431 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -78.95 141.48 37.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 p -58.78 157.89 8.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -58.19 176.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.75 79.83 0.99 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.91 77.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.762 HD13 ' HB2' ' A' ' 100' ' ' PRO . 3.6 tt -63.81 140.68 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.14 136.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.41 125.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -148.68 150.17 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 pt -105.56 137.12 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.441 ' HA ' HG23 ' A' ' 98' ' ' THR . 4.6 p -103.98 149.85 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -117.39 129.28 55.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -149.32 134.9 18.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -137.24 103.74 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.89 148.11 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -146.22 179.8 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.044 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.46 -0.256 . . . . 12.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -99.4 85.21 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ptm -116.45 171.15 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.69 61.11 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.44 111.39 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.27 -53.06 11.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.077 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 77.4 Cg_exo -49.83 -29.8 21.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.51 2.14 . . . . 0.0 112.418 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -78.54 -29.87 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -30.53 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.37 -64.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -145.16 115.63 7.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -74.45 -23.14 58.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.37 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 13' ' ' LEU . 2.5 mm? -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.6 -56.48 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -71.84 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.05 -44.17 78.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -32.13 69.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.01 -55.33 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.59 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.984 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -23.13 60.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.79 -59.52 4.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.8 -54.04 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.651 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' CB ' ' A' ' 24' ' ' ILE . 5.0 p 49.71 69.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.403 ' CB ' ' O ' ' A' ' 23' ' ' SER . 2.1 mt 82.26 -48.43 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt 71.13 27.41 3.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 110.735 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 67.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.44 141.42 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.32 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.04 101.84 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.5 t -150.0 104.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.62 148.27 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 m -108.97 130.38 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.3 65.03 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.56 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.185 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -43.31 88.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 124.42 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.51 123.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.524 HG11 ' O ' ' A' ' 37' ' ' VAL . 19.8 t -138.45 36.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.761 HG22 HD13 ' A' ' 39' ' ' LEU . 3.1 t -78.43 -30.08 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.761 HD13 HG22 ' A' ' 38' ' ' THR . 2.0 mp -107.01 130.78 54.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.635 HD12 ' CG ' ' A' ' 45' ' ' GLN . 15.2 tt -108.07 148.9 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.14 -176.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.32 -61.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.87 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.47 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.327 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.635 ' CG ' HD12 ' A' ' 40' ' ' ILE . 49.6 mt-30 -78.38 -34.45 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.44 -24.29 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -61.83 2.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.39 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.61 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -174.78 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 60.83 166.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -157.44 30.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -168.56 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.31 -40.79 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -60.87 -31.05 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -113.78 -165.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 68.03 155.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 122.48 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.09 99.0 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.52 -168.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -61.52 171.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.22 -34.59 20.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.09 59.54 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.87 171.46 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 t -139.41 95.96 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.94 -27.98 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -135.94 -75.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -166.67 44.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.55 -39.32 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.244 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.37 -25.27 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.6 -42.31 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.617 ' O ' HG11 ' A' ' 75' ' ' VAL . 12.5 m -76.57 -26.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 m -56.61 -26.19 55.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.95 -23.23 52.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.617 HG11 ' O ' ' A' ' 72' ' ' VAL . 10.6 p -54.92 -37.41 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.217 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.48 -31.28 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -67.83 -53.71 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.84 -74.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.91 70.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.508 ' HG1' HG22 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -148.92 101.69 3.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.544 0.211 . . . . 0.0 111.061 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.14 111.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.565 2.177 . . . . 0.0 112.704 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 145.78 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -114.74 98.5 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.638 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -151.52 98.5 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.54 150.36 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.069 0.461 . . . . 0.0 111.981 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -146.11 95.17 2.58 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.558 1.17 . . . . 0.0 110.853 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.765 HG21 HD13 ' A' ' 94' ' ' LEU . 26.0 mt -121.31 94.44 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 172.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.565 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -104.71 89.55 3.22 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.97 -174.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.529 HG22 HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.11 -26.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.728 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -164.18 71.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.699 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 60.71 18.85 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.95 79.43 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.05 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.565 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -47.27 125.67 8.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.201 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.765 HD13 HG21 ' A' ' 87' ' ' ILE . 5.8 mt -99.22 143.84 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.0 0.429 . . . . 0.0 110.841 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.734 ' N ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -141.24 105.09 4.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.646 HD11 ' N ' ' A' ' 96' ' ' ILE . 1.7 mp -99.01 150.39 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.335 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -98.94 113.28 25.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.175 0.512 . . . . 0.0 111.874 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -135.98 99.72 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.137 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -104.1 150.52 38.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.528 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.76 ' HB2' HD13 ' A' ' 107' ' ' ILE . 61.1 Cg_endo -98.2 148.0 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.141 2.56 . . . . 0.0 112.372 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 m -52.15 131.07 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.344 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -82.78 75.04 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.4 p -83.62 164.23 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.87 -35.51 13.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 104.57 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.04 127.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.76 HD13 ' HB2' ' A' ' 100' ' ' PRO . 20.2 tt -89.9 130.1 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.6 tt -143.06 132.85 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.56 157.19 33.39 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.66 139.44 31.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.4 mt -102.55 146.69 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.221 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -112.75 147.43 36.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 m -147.1 132.5 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -142.15 118.55 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 103.71 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.13 130.63 53.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.75 36.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.129 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.479 -0.249 . . . . 12.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -169.91 37.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.2 -35.15 5.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.8 78.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.65 35.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -60.41 10.34 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.16 -45.93 3.47 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.533 2.155 . . . . 0.0 112.648 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.17 73.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.029 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -59.98 -35.19 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.95 -66.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.02 85.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -77.01 -32.23 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -31.14 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -30.89 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.91 -49.68 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.8 -31.98 73.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -72.65 -40.82 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -74.34 -30.18 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.74 23.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.478 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -58.37 -21.94 51.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 21' ' ' LEU . 4.0 pp -52.93 -26.63 15.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.32 -30.05 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.987 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.0 m -65.03 110.46 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -150.05 141.43 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -21.15 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.367 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.36 128.46 31.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.4 -150.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.384 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.86 113.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' VAL . 10.8 p -144.88 109.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.58 146.13 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.5 149.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.4 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.54 -72.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.56 -36.4 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.17 55.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.399 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -96.4 100.89 12.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.6 t -84.43 79.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 p -109.23 -23.04 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.318 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.87 146.77 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.72 140.62 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.47 159.66 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -60.53 -42.05 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.78 48.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.3 87.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -60.65 -30.44 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -70.08 -41.21 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.68 -32.45 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.596 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 71.27 -64.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.833 0.349 . . . . 0.0 110.62 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -85.73 142.27 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.699 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -98.92 67.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.29 -168.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.45 16.96 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -30.07 31.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.797 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -60.82 -40.74 93.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.75 163.6 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 63.12 -163.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 68.09 140.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -92.55 170.26 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.7 p -74.63 -73.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 t -60.43 140.45 57.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.588 HD13 HG23 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -110.91 101.98 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.91 99.09 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -74.45 73.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 53.79 60.51 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -151.95 124.46 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t 61.01 173.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -106.0 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' O ' HG21 ' A' ' 72' ' ' VAL . 6.5 m -73.02 -23.23 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.9 m -72.44 -25.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.6 -42.76 67.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 69' ' ' VAL . 17.1 m -67.15 -23.39 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -22.15 44.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -51.03 -27.47 8.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.306 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -58.18 -27.79 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -79.57 -31.47 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -65.57 -55.13 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.24 -30.96 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.86 45.78 5.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 103.5 50.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.453 0.168 . . . . 0.0 111.049 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 122.78 12.3 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.403 2.069 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.57 149.75 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -124.13 98.82 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.027 0.441 . . . . 0.0 111.732 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.36 98.62 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.799 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.4 150.32 30.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.774 -178.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' HG3' HG23 ' A' ' 88' ' ' THR . 7.2 tt0 -144.34 95.68 2.75 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.706 1.241 . . . . 0.0 111.395 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.782 HG21 HD13 ' A' ' 94' ' ' LEU . 1.6 mp -123.38 94.79 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 100.692 -3.818 . . . . 0.0 100.692 173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.415 HG23 ' HG3' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -107.94 89.81 3.11 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.957 -174.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 94' ' ' LEU . 26.5 pt -50.06 -40.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.09 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -116.14 -48.34 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.973 0.416 . . . . 0.0 111.051 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -174.51 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.476 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.67 100.01 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.657 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.05 136.36 2.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.782 HD13 HG21 ' A' ' 87' ' ' ILE . 9.9 mt -99.47 130.15 45.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.337 . . . . 0.0 110.793 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -123.32 109.31 13.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.288 179.03 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.616 ' N ' HD11 ' A' ' 96' ' ' ILE . 1.7 mp -98.84 150.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.139 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -98.74 133.91 42.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.298 0.571 . . . . 0.0 112.015 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.0 p -149.64 99.64 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.17 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.23 151.0 37.62 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.645 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.739 ' HB2' HD12 ' A' ' 107' ' ' ILE . 44.3 Cg_endo -97.59 109.14 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.168 2.578 . . . . 0.0 112.373 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 100' ' ' PRO . 27.1 m 47.14 -176.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.792 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -121.41 32.65 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.0 t -133.31 -178.23 4.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -130.31 125.56 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 137.36 -94.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.19 120.36 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.739 HD12 ' HB2' ' A' ' 100' ' ' PRO . 37.6 mt -108.23 112.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.64 -66.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.9 162.07 14.78 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.53 138.04 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.96 137.7 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.83 143.43 44.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.4 m -109.93 134.0 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -141.21 139.5 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -148.76 119.52 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -115.58 106.59 14.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.052 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.497 -0.241 . . . . 12.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.586 ' O ' HD13 ' A' ' 5' ' ' LEU . 4.6 p80 -140.19 -45.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.91 -43.92 94.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.95 82.22 0.87 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 2' ' ' HIS . 10.6 mt -146.1 -68.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -80.5 -52.76 0.92 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 74.6 Cg_exo -49.65 -36.82 42.21 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.615 2.21 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -73.75 -29.98 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.15 -44.58 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 pt -68.41 -29.83 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m 59.98 88.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.42 -26.51 41.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.234 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' O ' HD21 ' A' ' 13' ' ' LEU . 9.7 tt -56.74 -30.18 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -80.42 -44.77 18.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -60.04 -35.08 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.22 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -25.72 67.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -52.08 -29.97 23.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.1 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 mtt -75.08 -22.1 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.49 -32.64 58.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.106 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.85 -61.62 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t 61.55 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.43 132.92 65.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 36.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 35.06 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.37 168.88 36.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -125.73 103.51 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -149.87 107.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.59 139.01 49.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG21 ' O ' ' A' ' 110' ' ' ALA . 33.9 m -113.48 149.44 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.69 64.55 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.176 0.512 . . . . 0.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 52.25 26.49 4.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.343 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -151.75 -75.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 50.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -91.0 82.32 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 m -75.8 137.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t 174.51 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.83 117.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.1 tt -142.35 145.95 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.65 158.99 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -64.98 -41.9 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.15 61.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.64 94.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.47 -35.73 68.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -31.89 72.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -34.55 78.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD23 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -75.44 -34.02 60.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 60.48 166.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 63.53 128.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 60.82 -172.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -65.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -71.78 -30.96 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.21 -32.88 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.32 -72.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.49 86.22 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -80.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 61' ' ' THR . 0.8 OUTLIER -177.11 34.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.072 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.3 p 52.71 -86.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.353 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.663 ' HG1' ' CE1' ' A' ' 64' ' ' HIS . 4.7 p -152.17 85.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.765 0.316 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 87' ' ' ILE . 83.8 mt 60.48 -179.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -83.37 78.16 9.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.663 ' CE1' ' HG1' ' A' ' 61' ' ' THR . 5.3 m170 -66.53 127.7 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -115.7 -178.82 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -78.43 73.49 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -115.69 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -150.51 39.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.56 -42.16 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.3 -30.97 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.87 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -79.26 -36.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -31.04 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.053 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.28 -53.01 62.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.83 -38.77 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.22 -30.83 60.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.35 -61.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.6 -32.06 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.32 38.84 6.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.592 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -99.71 99.37 8.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.519 0.199 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.84 104.12 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.404 2.069 . . . . 0.0 112.51 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.05 137.55 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.413 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -105.38 99.39 9.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.441 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.67 98.75 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.359 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -151.42 150.21 30.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.762 0.315 . . . . 0.0 111.21 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -140.74 95.98 2.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.811 1.291 . . . . 0.0 112.083 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.812 HG21 HD13 ' A' ' 94' ' ' LEU . 1.1 mm -127.03 94.41 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 N-CA-C 100.224 -3.991 . . . . 0.0 100.224 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.562 ' HG1' ' HA ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -104.36 94.08 5.15 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.142 -174.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.407 HG22 HD12 ' A' ' 94' ' ' LEU . 25.0 pt -51.43 -41.23 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.75 -62.24 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.562 ' HA ' ' HG1' ' A' ' 88' ' ' THR . 38.2 m-20 -156.08 178.98 9.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.469 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.11 -94.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.485 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER 172.04 -179.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 111.001 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.812 HD13 HG21 ' A' ' 87' ' ' ILE . 70.8 mt -138.4 99.44 3.84 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.068 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.1 pp -99.87 114.48 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.228 0.537 . . . . 0.0 109.936 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.586 HD11 ' N ' ' A' ' 96' ' ' ILE . 1.5 mp -98.63 150.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.065 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -98.75 118.56 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.308 0.575 . . . . 0.0 112.076 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.5 p -150.05 99.51 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -121.44 150.05 53.69 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.637 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.681 ' HB2' HD13 ' A' ' 107' ' ' ILE . 63.9 Cg_endo -98.87 150.02 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.288 2.659 . . . . 0.0 112.18 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.661 HG21 HD12 ' A' ' 111' ' ' ILE . 31.4 m -123.42 131.32 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -63.48 132.02 50.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 -70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -121.24 28.51 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.38 -84.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.69 135.05 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.681 HD13 ' HB2' ' A' ' 100' ' ' PRO . 15.4 tt -96.04 111.95 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.7 mm -119.41 -60.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.33 175.73 35.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.527 ' O ' HG21 ' A' ' 31' ' ' VAL . . . -149.87 134.51 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.661 HD12 HG21 ' A' ' 101' ' ' VAL . 3.7 mp -109.42 148.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.437 ' H ' ' HG ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -99.99 136.21 40.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -99.95 129.09 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.91 100.24 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -149.96 102.56 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -129.69 125.58 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -175.01 145.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.073 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.431 -0.268 . . . . 12.0 112.431 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -144.55 55.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.99 -172.7 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.26 31.72 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.615 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.4 17.46 17.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.703 0.287 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -77.71 -63.17 0.49 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 6' ' ' GLU . 20.7 Cg_endo -60.64 -28.41 86.51 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.414 2.076 . . . . 0.0 112.341 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.24 -32.2 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.17 -30.4 30.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mm -60.19 -59.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m 63.42 115.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -78.3 -31.67 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.246 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.42 -36.69 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.09 -29.89 34.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.89 -50.1 14.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -59.27 -30.99 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -69.65 -51.2 36.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.83 -29.24 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.254 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 tpt -67.57 -52.32 40.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.22 -68.9 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.12 -63.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p 62.54 160.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.496 HG21 ' H ' ' A' ' 26' ' ' GLU . 32.7 mm -76.46 134.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 31.08 6.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.696 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' H ' HG21 ' A' ' 24' ' ' ILE . 9.8 tp10 -59.88 98.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.17 153.92 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 99.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -148.89 100.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.24 148.95 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 110' ' ' ALA . 2.7 m -112.81 100.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.24 75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.66 108.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.82 30.82 20.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.38 155.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.804 ' O ' HG23 ' A' ' 38' ' ' THR . 3.7 tp10 -101.52 -2.13 31.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.405 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.15 32.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.854 0.359 . . . . 0.0 111.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.804 HG23 ' O ' ' A' ' 36' ' ' GLU . 10.1 t 179.31 49.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tt -141.5 112.65 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.452 ' O ' HG22 ' A' ' 40' ' ' ILE . 13.6 tt -150.03 119.81 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.3 -175.82 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.028 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.29 -54.85 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.19 -28.54 58.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.7 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -77.94 -42.64 32.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -57.32 -25.44 59.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -63.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -166.18 163.7 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -115.13 114.54 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 23.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.76 -156.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -44.39 -29.69 0.72 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -50.8 -29.8 12.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.04 -56.1 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 45.69 -170.57 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.454 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.38 164.75 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -75.12 -78.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.52 101.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.8 t -63.63 171.3 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 m 65.42 125.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.53 67.31 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -83.88 166.66 17.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.43 101.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.774 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t 62.83 178.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -104.28 140.35 37.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.8 m -158.26 -63.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -176.28 45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.6 -29.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.4 m -59.47 -34.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.67 -31.68 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.4 -30.38 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -74.35 -30.99 62.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.2 -54.01 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.78 -44.6 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.64 -46.99 77.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -60.94 -50.99 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.16 -65.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.22 -130.83 3.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.469 0.176 . . . . 0.0 111.094 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.83 70.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.67 2.246 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 98.83 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.66 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.516 ' HB2' HG11 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -151.19 142.27 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.71 151.59 21.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.535 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -99.04 99.52 10.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.778 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.568 ' C ' HD11 ' A' ' 87' ' ' ILE . 1.1 tp10 -150.4 96.09 2.34 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 122.547 1.165 . . . . 0.0 111.909 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 94' ' ' LEU . 2.0 mp -123.1 93.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.596 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 172.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.534 ' O ' HG21 ' A' ' 88' ' ' THR . 1.0 OUTLIER -111.78 99.1 7.87 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.677 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.48 HG22 HD13 ' A' ' 94' ' ' LEU . 1.6 pp -79.59 111.94 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.598 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.17 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.431 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -131.46 -29.5 1.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -44.08 -40.95 5.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.71 0.291 . . . . 0.0 111.324 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.477 HD22 HD23 ' A' ' 95' ' ' LEU . 5.0 tt 61.93 129.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -140.12 150.06 43.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.197 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.505 HD22 ' C ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -131.78 106.9 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.575 HD11 ' N ' ' A' ' 96' ' ' ILE . 3.6 mp -112.37 150.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.64 128.78 45.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.132 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -148.06 100.03 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG11 ' HB2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -142.22 150.44 55.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -98.43 100.65 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.246 2.631 . . . . 0.0 112.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 102' ' ' ARG . 10.2 p -142.52 158.99 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.449 ' N ' HG23 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -170.36 178.8 3.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -7.46 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -106.26 148.94 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.14 55.38 4.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.582 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.64 163.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 107' ' ' ILE . 6.6 tp -100.8 84.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.1 tp -126.7 126.05 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.67 -178.92 5.28 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.564 ' HB3' HG21 ' A' ' 31' ' ' VAL . . . -148.37 149.92 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -116.82 130.37 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.697 ' N ' HD12 ' A' ' 111' ' ' ILE . 19.1 p -113.42 136.19 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.4 m -107.16 125.98 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.79 145.54 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -149.7 128.15 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.451 ' O ' HG21 ' A' ' 118' ' ' THR . 0.1 OUTLIER -145.88 145.95 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.1 29.91 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.451 HG21 ' O ' ' A' ' 116' ' ' ASP . 4.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.44 132.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.0 100.46 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.16 136.48 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.42 132.6 53.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.4 m -123.15 112.02 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -55.55 107.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 59.23 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -155.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.251 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.52 38.16 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.616 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.47 96.82 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.9 m -95.21 90.53 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.1 t -133.55 12.46 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.4 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -150.12 117.85 6.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.331 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.559 HD13 ' CG ' ' A' ' 45' ' ' GLN . 12.5 tt -112.39 149.32 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.86 152.19 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -58.64 -30.96 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -36.6 44.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.96 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CG ' HD13 ' A' ' 40' ' ' ILE . 68.6 mt-30 -70.61 -31.96 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.09 -66.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.33 -60.55 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.38 91.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -153.75 -62.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -142.17 166.72 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.46 -25.72 16.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.21 -31.68 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -70.8 -41.08 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -30.65 68.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -49.48 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -171.61 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 71.76 46.01 0.4 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -143.37 171.24 14.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 94.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.7 m -139.29 -46.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.844 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -86.16 55.56 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -82.86 -25.31 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 64.38 121.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.0 t -101.39 146.36 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.4 t-105 -145.9 175.15 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.15 -58.77 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.71 67.47 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 66' ' ' TRP . 35.4 m -72.51 -28.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.18 -28.45 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.1 -29.71 67.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.7 -43.23 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -58.23 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -59.1 -31.5 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.798 HG11 ' HD3' ' A' ' 82' ' ' ARG . 27.6 t -62.59 -47.83 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -75.67 -42.41 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -48.53 -47.43 39.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.901 0.382 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.7 149.14 25.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.59 65.95 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.557 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -121.72 140.08 31.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.515 0.198 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.81 -169.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.476 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.798 ' HD3' HG11 ' A' ' 75' ' ' VAL . 26.2 tpt180 -150.34 152.01 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 150.85 20.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.724 ' CB ' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.06 151.01 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.419 0.628 . . . . 0.0 112.029 -178.723 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -113.36 150.57 32.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.112 -179.336 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 88' ' ' THR . 14.4 tt0 -105.76 95.98 6.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 122.279 1.038 . . . . 0.0 111.794 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -114.07 94.76 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 N-CA-C 100.874 -3.75 . . . . 0.0 100.874 172.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.7 117.21 33.52 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.557 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.675 HG23 HD11 ' A' ' 94' ' ' LEU . 26.2 pt -70.96 -38.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -153.88 69.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 t70 66.22 17.51 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.076 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 79.81 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.183 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.575 ' N ' ' HB ' ' A' ' 88' ' ' THR . 2.1 pt? -44.84 124.35 4.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.43 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 10.7 mt -102.61 121.75 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.244 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -122.14 99.85 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.072 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -100.74 99.85 9.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.405 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p30 -133.87 150.38 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.464 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -108.06 110.91 22.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 82' ' ' ARG . 18.8 m -107.92 150.69 40.65 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.307 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.558 ' HB2' HD12 ' A' ' 107' ' ' ILE . 62.9 Cg_endo -98.15 139.32 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.207 2.604 . . . . 0.0 112.387 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.35 139.65 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.11 142.06 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -157.17 -169.8 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.58 38.7 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.4 -132.9 3.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.66 132.74 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 100' ' ' PRO . 8.8 pt -128.68 132.97 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.233 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 109' ' ' GLY . 30.9 mt -115.24 158.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 108' ' ' ILE . . . 73.84 163.27 8.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.329 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -144.74 149.81 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 111.247 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 mt -101.21 140.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 122.53 43.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.136 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.8 m -100.07 123.16 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.69 143.41 45.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -124.2 100.67 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.903 0.382 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.99 60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.02 -164.24 14.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.408 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -111.66 101.98 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 114' ' ' PHE . 35.2 t -141.32 114.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.86 51.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.402 HG12 HG13 ' A' ' 37' ' ' VAL . 5.7 m -115.39 131.93 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.74 76.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.2 t0 63.02 147.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.64 66.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.92 107.28 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 31' ' ' VAL . 16.4 m -105.11 36.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -61.14 -31.18 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.71 111.65 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 tt -102.71 148.02 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.43 165.04 25.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -66.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.15 -28.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -71.77 -30.84 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.07 -30.33 66.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.98 -57.63 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -69.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.0 -178.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -131.55 63.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 153.71 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 169.79 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t 70.71 -63.04 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.9 mt-30 -50.81 -60.13 3.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -69.4 -36.64 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -82.26 -173.14 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 65.42 176.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -60.04 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 54' ' ' GLN . 3.4 mp 51.05 68.93 0.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.076 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' THR . 83.4 p -131.91 35.58 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -160.35 159.61 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 87' ' ' ILE . 2.9 mt -60.54 -40.03 90.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -65.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -125.49 144.23 50.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.75 102.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -152.48 102.09 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -164.91 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.44 41.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.35 -29.15 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.31 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.09 -31.06 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.2 -50.0 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.4 t -58.41 -28.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 t -60.03 -22.05 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -75.83 -50.17 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.198 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 72' ' ' VAL . 31.2 m -59.0 -26.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.415 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.81 -53.36 15.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -60.92 -43.44 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.17 172.74 7.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.797 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.62 35.84 4.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.16 149.76 36.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.552 0.215 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.19 -171.13 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.811 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.9 tpt85 -150.14 150.66 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.41 150.57 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.588 ' HB3' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.31 150.98 21.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 111.45 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.85 150.16 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.271 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.545 ' CG ' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.28 95.38 5.72 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.211 1.005 . . . . 0.0 111.425 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.926 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -111.05 94.72 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 172.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.545 HG22 ' CG ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -110.34 112.99 25.29 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.7 -0.8 . . . . 0.0 112.302 -174.191 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 94' ' ' LEU . 21.3 pt -53.23 -40.07 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.618 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG13 ' A' ' 89' ' ' ILE . 9.4 mmmm -121.67 -80.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.78 20.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.6 mtt180 -94.6 -102.62 0.15 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER 159.54 124.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 87' ' ' ILE . 10.0 mt -112.33 102.4 10.55 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.705 0.288 . . . . 0.0 110.644 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.8 pp -106.6 99.77 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.373 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -100.27 99.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -150.32 150.09 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.286 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 111' ' ' ILE . 26.3 m -105.03 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 82' ' ' ARG . 35.6 m -134.6 149.0 69.68 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.385 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HB2' HD12 ' A' ' 107' ' ' ILE . 58.7 Cg_endo -98.78 100.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.266 2.644 . . . . 0.0 112.349 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.13 -178.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 102' ' ' ARG . 2.0 ttp-105 68.55 51.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.821 ' HB3' HG22 ' A' ' 107' ' ' ILE . 20.4 t -159.77 127.42 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.58 -49.47 66.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.8 145.27 12.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.8 t 59.41 68.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 ' HB3' ' A' ' 103' ' ' SER . 11.7 pt -54.57 112.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.87 -63.04 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.52 -179.24 46.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -150.04 150.06 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 98' ' ' THR . 4.7 mt -99.84 130.51 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.458 ' HG ' ' HE2' ' A' ' 114' ' ' PHE . 89.8 p -99.84 132.55 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.58 102.92 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.458 ' HE2' ' HG ' ' A' ' 112' ' ' SER . 30.2 p90 -149.71 138.13 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.8 mtm105 -140.02 124.5 18.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.741 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.949 0.404 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.69 81.75 4.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 120.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.33 99.91 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.16 128.29 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.22 119.9 39.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -103.72 150.22 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.89 107.96 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.73 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.14 -82.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.945 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.44 -86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.446 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 38' ' ' THR . 1.5 tp10 69.36 -65.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 67.45 27.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.2 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 36' ' ' GLU . 68.1 p -65.58 -26.88 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -112.69 109.22 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 tt -123.6 143.9 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.12 166.39 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.26 -30.96 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.14 31.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.23 -54.41 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.29 -38.69 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.71 -59.06 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.2 -72.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.19 155.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -70.34 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.3 -166.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.211 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.96 34.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -150.13 -61.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -30.97 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.41 -44.21 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.76 -69.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -94.01 127.26 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -145.64 160.14 42.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -44.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.6 m 60.87 35.39 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.84 140.36 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.517 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.8 mt -115.61 -64.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -122.79 19.15 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 51.46 78.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t 62.65 172.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -85.4 -43.1 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.4 m -152.23 -56.64 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -58.45 122.95 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.16 -68.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.396 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.0 t -80.05 -34.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.503 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -41.86 62.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 75' ' ' VAL . 41.4 t -72.28 -21.81 20.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.372 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -55.41 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.979 0.418 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -63.71 -21.72 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.672 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 72' ' ' VAL . 9.0 p -46.48 -37.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.742 0.306 . . . . 0.0 111.595 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.79 -31.39 35.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.75 -63.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.61 41.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.302 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -130.33 173.42 5.82 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 80' ' ' THR . 36.1 Cg_exo -57.7 -160.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.478 2.119 . . . . 0.0 112.442 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -150.15 150.6 31.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -99.39 151.07 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.649 ' CB ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -98.75 151.16 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.419 0.628 . . . . 0.0 111.59 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' OE1' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -118.94 150.15 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.505 -178.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 88' ' ' THR . 18.2 tt0 -109.08 95.75 5.84 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.358 1.075 . . . . 0.0 111.401 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.938 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -114.52 94.6 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.128 -3.656 . . . . 0.0 101.128 173.189 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -109.17 100.91 10.0 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.956 -174.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 94' ' ' LEU . 22.7 pt -47.77 -38.18 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.932 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.3 OUTLIER -133.16 -44.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.15 -39.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -70.09 98.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.22 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 2.5 pt? -49.52 132.25 20.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HG22 ' A' ' 87' ' ' ILE . 18.3 mt -102.08 112.75 25.53 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 110.694 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.649 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -120.15 99.8 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.998 0.428 . . . . 0.0 110.691 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -109.5 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.714 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -128.33 150.45 50.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.7 p -112.2 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 82' ' ' ARG . 22.8 m -104.15 150.18 38.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -98.58 112.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.14 2.56 . . . . 0.0 112.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.34 141.12 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 133.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 m -96.66 127.47 42.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 59.45 161.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.13 -79.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.532 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.7 t -105.16 71.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.88 72.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 109' ' ' GLY . 0.9 OUTLIER -119.04 -44.86 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -82.87 -179.49 52.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.87 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -100.49 150.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.72 129.3 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -100.23 140.83 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.08 108.98 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -123.73 147.84 47.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.3 132.87 38.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.66 -146.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.73 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.59 100.09 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.246 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.33 123.11 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.11 150.08 46.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.281 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.67 150.11 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.996 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -49.99 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -67.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.47 -31.48 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.16 -140.77 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 62.45 118.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 39' ' ' LEU . 21.2 t -115.65 -56.76 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 39' ' ' LEU . 2.3 p 69.45 -61.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.423 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.8 mp -108.55 150.02 28.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.431 HG12 ' HB3' ' A' ' 44' ' ' ALA . 9.3 tt -136.8 145.24 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -67.68 169.82 8.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.754 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 27.5 t70 -69.45 -56.63 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.47 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -68.01 -29.63 68.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.23 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 42' ' ' ASP . 3.0 mt-30 -68.21 -26.6 65.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.167 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.96 -27.4 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -57.33 12.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.52 -62.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -174.31 160.55 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.5 66.08 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -166.06 154.4 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -104.6 -164.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.49 -67.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -40.25 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.9 150.56 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 61.69 54.23 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 -172.54 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.67 99.69 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 m -87.04 -63.71 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -83.54 162.46 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.9 mt -92.3 179.57 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.6 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -173.87 149.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -109.05 68.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.22 40.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 145.17 49.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.13 83.94 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.32 -33.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.45 -31.88 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -60.35 -54.69 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.27 -28.89 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -72.87 -30.65 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.79 -51.48 40.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.42 -47.96 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 76' ' ' LEU . 12.9 mt -59.76 -34.75 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.756 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -44.91 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.27 -33.54 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.734 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 81.95 53.55 3.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.591 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.666 HG22 ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -144.48 139.73 15.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.666 ' HD2' HG22 ' A' ' 80' ' ' THR . 61.2 Cg_endo -73.07 96.42 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.439 2.093 . . . . 0.0 112.34 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.91 135.86 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 99.34 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.61 99.13 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.397 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.09 150.23 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' HG22 ' A' ' 88' ' ' THR . 3.5 tt0 -132.19 96.02 3.79 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.806 1.289 . . . . 0.0 112.064 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.95 HG22 HD12 ' A' ' 94' ' ' LEU . 2.7 mt -128.26 94.38 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 172.632 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.58 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -106.11 126.55 52.35 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.697 -173.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.819 HG23 HD11 ' A' ' 94' ' ' LEU . 35.5 pt -87.74 -34.39 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.06 63.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 t0 60.81 19.58 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -128.84 87.32 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.58 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -41.99 136.37 2.13 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.436 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.95 HD12 HG22 ' A' ' 87' ' ' ILE . 9.7 mt -99.73 99.61 10.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.645 0.259 . . . . 0.0 110.876 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.19 111.94 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.81 150.23 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.469 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -99.26 128.88 45.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.152 0.501 . . . . 0.0 111.721 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 112' ' ' SER . 24.9 p -147.19 99.9 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.289 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 100' ' ' PRO . 2.8 t -99.88 144.85 29.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HB2' HG21 ' A' ' 107' ' ' ILE . 51.2 Cg_endo -98.11 149.43 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.007 2.472 . . . . 0.0 112.266 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.9 144.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t 56.76 175.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -102.33 83.16 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.46 -92.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.5 132.24 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.733 HG21 ' HB2' ' A' ' 100' ' ' PRO . 29.6 mt -103.99 130.16 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.99 103.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.34 122.27 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.96 147.1 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.36 148.55 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.65 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.4 OUTLIER -118.91 142.93 47.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.0 m -128.44 100.75 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -105.78 132.0 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -143.9 99.89 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.71 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.6 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.856 0.36 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.55 -67.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.48 -146.9 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.641 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -133.55 108.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 111.078 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 111' ' ' ILE . 43.6 t -144.8 140.17 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 138.19 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.11 150.36 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -55.75 -48.77 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -93.48 -67.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 124.0 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.7 -52.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 58.83 32.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -40.94 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -118.98 118.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 45' ' ' GLN . 9.5 tt -126.61 149.92 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.7 163.5 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.32 -71.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.78 -27.14 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.459 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -56.58 -48.67 76.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.203 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CG ' HD13 ' A' ' 40' ' ' ILE . 46.3 mt-30 -60.85 -26.69 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.26 -29.21 46.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.07 -55.73 20.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -69.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -174.26 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 32.4 p90 -105.95 60.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HG2' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -101.31 -174.44 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.38 -37.19 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -113.87 -39.43 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 51' ' ' ARG . 13.9 tm0? -58.37 -39.9 80.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.955 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.761 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -83.58 -44.06 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.95 130.05 34.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.711 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.84 117.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.69 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.48 129.51 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -76.71 175.05 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.2 m -120.74 -56.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.846 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -81.56 122.27 27.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 t -176.72 152.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.28 74.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.9 156.9 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.2 73.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -81.86 -29.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.69 -34.84 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.97 -39.99 94.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.81 -30.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.4 t -61.23 -24.31 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -57.38 -33.44 67.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 82' ' ' ARG . 34.4 t -53.93 -53.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.191 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.69 -28.22 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -67.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.32 -48.2 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' A' ' 100' ' ' PRO . . . 119.17 -15.64 10.89 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.885 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.6 p -57.81 109.83 2.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 122.843 -0.21 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.03 111.38 2.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.49 2.127 . . . . 0.0 112.564 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.561 ' HG2' HG13 ' A' ' 75' ' ' VAL . 14.3 ptm180 -147.35 145.59 29.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.256 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.52 99.06 8.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 0.0 111.601 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.18 97.64 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.214 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 3.3 mt-10 -152.58 150.39 29.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.339 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 9.2 tt0 -144.5 95.75 2.76 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.882 1.325 . . . . 0.0 111.825 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -126.39 94.45 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 100.393 -3.929 . . . . 0.0 100.393 172.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.518 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.08 84.64 2.01 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.95 -174.556 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.717 HD12 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.15 -33.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.907 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.79 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.763 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -159.67 -41.95 0.05 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.727 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.93 105.14 6.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -42.89 142.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.158 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 20.8 mt -99.47 108.49 20.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.721 0.296 . . . . 0.0 111.145 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -113.16 104.63 12.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.11 0.481 . . . . 0.0 109.934 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -98.91 146.26 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.094 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -98.77 114.16 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.223 0.535 . . . . 0.0 111.835 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.52 100.87 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.125 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 11.4 p -99.6 143.69 26.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 107' ' ' ILE . 54.4 Cg_endo -98.48 150.17 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.243 2.629 . . . . 0.0 112.364 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -49.08 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -54.86 109.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -148.4 136.76 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.67 131.25 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -108.41 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 107' ' ' ILE . 10.1 p -58.36 159.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 100' ' ' PRO . 9.9 tt -159.54 118.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 107' ' ' ILE . 19.3 mm -138.09 151.48 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.15 143.54 2.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.6 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.62 148.3 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 29' ' ' VAL . 3.2 mp -101.66 142.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 137.67 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.9 m -133.18 130.3 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -137.12 116.77 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -149.66 100.35 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -96.27 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.4 171.54 26.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -133.85 125.72 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.32 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -149.75 105.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.07 141.3 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 110' ' ' ALA . 3.6 m -125.51 149.89 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.35 63.68 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t0 64.01 -77.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.21 72.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' HB ' ' A' ' 31' ' ' VAL . . . 108.03 111.77 3.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.64 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -84.35 -168.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.58 29.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -176.59 75.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mt -149.88 99.79 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 tt -150.13 145.35 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 146.23 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.86 -34.04 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.92 60.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.43 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -60.23 -32.5 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -69.58 -29.5 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.05 -31.51 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CG ' ' A' ' 55' ' ' ASP . 1.2 mp -77.5 -43.02 33.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t30 58.89 37.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -123.16 -69.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -167.11 165.4 15.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -104.01 30.55 5.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 m -110.27 -46.63 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -32.02 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.4 m-20 -60.47 -48.33 82.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.23 86.07 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -160.31 -176.72 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -53.97 126.49 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.37 49.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -129.03 136.65 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.14 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' A' ' 87' ' ' ILE . 74.7 mt -77.36 -49.8 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.54 151.34 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -63.86 143.21 58.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.23 117.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -81.04 68.47 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -123.53 -47.0 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.57 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 72' ' ' VAL . 22.5 t -58.54 -45.77 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.66 -29.18 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.68 -57.3 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.788 ' O ' HG12 ' A' ' 75' ' ' VAL . 10.7 p -58.09 -22.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -82.04 -22.77 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.97 -32.36 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 72' ' ' VAL . 12.4 p -63.54 -29.27 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.19 -28.4 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -28.76 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.337 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -95.13 128.02 41.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.75 62.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.2 p -56.76 123.95 61.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.09 122.45 4.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.64 2.227 . . . . 0.0 112.599 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' H ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -150.09 133.07 16.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.81 101.16 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.28 99.34 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.519 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.04 150.39 30.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' HG3' HG22 ' A' ' 88' ' ' THR . 17.7 tt0 -133.59 95.85 3.57 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.575 1.179 . . . . 0.0 111.582 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.987 HG22 HD12 ' A' ' 94' ' ' LEU . 1.5 mp -120.61 94.64 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.519 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -108.28 104.41 13.79 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.69 -0.804 . . . . 0.0 112.201 -174.496 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.5 -25.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.404 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -143.68 -75.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.426 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.47 20.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.816 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -124.47 88.82 2.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.324 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.519 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.1 128.84 4.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.987 HD12 HG22 ' A' ' 87' ' ' ILE . 16.6 mt -99.54 100.25 11.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.637 0.256 . . . . 0.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 95' ' ' LEU . 2.1 pp -99.68 116.23 31.31 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.4 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.329 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -98.57 104.83 16.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.409 0.623 . . . . 0.0 112.03 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 112' ' ' SER . 23.4 p -142.96 99.51 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.647 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.467 HG11 ' H ' ' A' ' 82' ' ' ARG . 18.4 m -138.58 150.98 67.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.621 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.86 ' HB2' HD11 ' A' ' 107' ' ' ILE . 67.1 Cg_endo -98.57 115.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.313 2.675 . . . . 0.0 112.258 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 101' ' ' VAL . 13.2 p -93.32 20.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.431 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -78.95 141.48 37.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 p -58.78 157.89 8.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -58.19 176.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.75 79.83 0.99 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.91 77.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 100' ' ' PRO . 3.6 tt -63.81 140.68 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.14 136.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.41 125.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -148.68 150.17 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 pt -105.56 137.12 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.605 ' HA ' HG22 ' A' ' 98' ' ' THR . 4.6 p -103.98 149.85 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -117.39 129.28 55.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -149.32 134.9 18.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -137.24 103.74 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.348 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 67.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.44 141.42 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.32 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.04 101.84 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' A' ' 114' ' ' PHE . 15.5 t -150.0 104.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.62 148.27 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 m -108.97 130.38 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.3 65.03 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.56 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.185 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -43.31 88.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 124.42 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.51 123.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 37' ' ' VAL . 19.8 t -138.45 36.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.918 HG23 HD12 ' A' ' 39' ' ' LEU . 3.1 t -78.43 -30.08 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.918 HD12 HG23 ' A' ' 38' ' ' THR . 2.0 mp -107.01 130.78 54.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 45' ' ' GLN . 15.2 tt -108.07 148.9 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.14 -176.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.32 -61.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.87 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.47 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.327 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 40' ' ' ILE . 49.6 mt-30 -78.38 -34.45 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.44 -24.29 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -61.83 2.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.39 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.61 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -174.78 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 60.83 166.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -157.44 30.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -168.56 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.31 -40.79 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -60.87 -31.05 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -113.78 -165.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 68.03 155.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 122.48 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.09 99.0 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.52 -168.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -61.52 171.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.22 -34.59 20.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.09 59.54 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.87 171.46 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 t -139.41 95.96 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.94 -27.98 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -135.94 -75.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -166.67 44.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.55 -39.32 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.244 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.37 -25.27 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.6 -42.31 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 75' ' ' VAL . 12.5 m -76.57 -26.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 m -56.61 -26.19 55.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.95 -23.23 52.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.6 p -54.92 -37.41 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.217 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.48 -31.28 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -67.83 -53.71 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.84 -74.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.91 70.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.92 101.69 3.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.544 0.211 . . . . 0.0 111.061 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.14 111.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.565 2.177 . . . . 0.0 112.704 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 145.78 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -114.74 98.5 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.638 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HG3' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -151.52 98.5 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -151.54 150.36 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.069 0.461 . . . . 0.0 111.981 -178.645 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 88' ' ' THR . 16.5 tt0 -146.11 95.17 2.58 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.558 1.17 . . . . 0.0 110.853 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 94' ' ' LEU . 26.0 mt -121.31 94.44 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 172.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.651 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -104.71 89.55 3.22 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.97 -174.294 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.11 -26.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.728 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 89' ' ' ILE . 1.1 tptp -164.18 71.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.699 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 60.71 18.85 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.95 79.43 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.05 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.651 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -47.27 125.67 8.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.201 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 87' ' ' ILE . 5.8 mt -99.22 143.84 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.0 0.429 . . . . 0.0 110.841 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -141.24 105.09 4.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -99.01 150.39 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.335 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -98.94 113.28 25.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.175 0.512 . . . . 0.0 111.874 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -135.98 99.72 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.137 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -104.1 150.52 38.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.528 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.933 ' HB2' HD11 ' A' ' 107' ' ' ILE . 61.1 Cg_endo -98.2 148.0 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.141 2.56 . . . . 0.0 112.372 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 m -52.15 131.07 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.344 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -82.78 75.04 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.4 p -83.62 164.23 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.87 -35.51 13.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 104.57 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.04 127.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.933 HD11 ' HB2' ' A' ' 100' ' ' PRO . 20.2 tt -89.9 130.1 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.6 tt -143.06 132.85 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.56 157.19 33.39 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.66 139.44 31.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.4 mt -102.55 146.69 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.221 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -112.75 147.43 36.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 m -147.1 132.5 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' A' ' 29' ' ' VAL . 6.3 p90 -142.15 118.55 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 103.71 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.688 0.28 . . . . 0.0 111.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.36 128.46 31.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.4 -150.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.384 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.86 113.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 29' ' ' VAL . 10.8 p -144.88 109.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.58 146.13 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.5 149.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.4 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.54 -72.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.56 -36.4 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.17 55.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.399 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -96.4 100.89 12.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.6 t -84.43 79.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 p -109.23 -23.04 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.318 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.87 146.77 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.72 140.62 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.47 159.66 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -60.53 -42.05 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.78 48.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.3 87.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.65 -30.44 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -70.08 -41.21 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 47' ' ' LEU . 7.5 tp -57.68 -32.45 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 71.27 -64.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.833 0.349 . . . . 0.0 110.62 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -85.73 142.27 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.699 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -98.92 67.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -95.29 -168.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.45 16.96 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -30.07 31.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.797 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -60.82 -40.74 93.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.75 163.6 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 63.12 -163.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 68.09 140.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -92.55 170.26 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.7 p -74.63 -73.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 t -60.43 140.45 57.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -110.91 101.98 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.91 99.09 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -74.45 73.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 53.79 60.51 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -151.95 124.46 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t 61.01 173.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -106.0 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.5 m -73.02 -23.23 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.9 m -72.44 -25.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.6 -42.76 67.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 17.1 m -67.15 -23.39 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -22.15 44.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -51.03 -27.47 8.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.306 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.7 p -58.18 -27.79 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.217 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -79.57 -31.47 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -65.57 -55.13 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.24 -30.96 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.86 45.78 5.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 103.5 50.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.453 0.168 . . . . 0.0 111.049 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 122.78 12.3 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.403 2.069 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.57 149.75 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -124.13 98.82 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.027 0.441 . . . . 0.0 111.732 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.36 98.62 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.799 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -151.4 150.32 30.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.774 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG3' HG22 ' A' ' 88' ' ' THR . 7.2 tt0 -144.34 95.68 2.75 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.706 1.241 . . . . 0.0 111.395 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 94' ' ' LEU . 1.6 mp -123.38 94.79 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 100.692 -3.818 . . . . 0.0 100.692 173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -107.94 89.81 3.11 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.957 -174.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 94' ' ' LEU . 26.5 pt -50.06 -40.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.09 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 89' ' ' ILE . 3.5 mmtp -116.14 -48.34 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.973 0.416 . . . . 0.0 111.051 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -174.51 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.476 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -75.67 100.01 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.657 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.05 136.36 2.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 87' ' ' ILE . 9.9 mt -99.47 130.15 45.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.337 . . . . 0.0 110.793 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -123.32 109.31 13.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.288 179.03 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.84 150.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.139 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.74 133.91 42.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.298 0.571 . . . . 0.0 112.015 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.0 p -149.64 99.64 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.17 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.23 151.0 37.62 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.645 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.874 ' HB2' HD13 ' A' ' 107' ' ' ILE . 44.3 Cg_endo -97.59 109.14 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.168 2.578 . . . . 0.0 112.373 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 100' ' ' PRO . 27.1 m 47.14 -176.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.792 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -121.41 32.65 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.441 ' H ' HG23 ' A' ' 101' ' ' VAL . 37.0 t -133.31 -178.23 4.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -130.31 125.56 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 137.36 -94.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.19 120.36 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.874 HD13 ' HB2' ' A' ' 100' ' ' PRO . 37.6 mt -108.23 112.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.64 -66.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.9 162.07 14.78 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.53 138.04 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.96 137.7 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.83 143.43 44.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.4 m -109.93 134.0 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -141.21 139.5 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -148.76 119.52 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 35.06 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.37 168.88 36.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -125.73 103.51 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -149.87 107.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.59 139.01 49.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 110' ' ' ALA . 33.9 m -113.48 149.44 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.69 64.55 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.176 0.512 . . . . 0.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 52.25 26.49 4.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.343 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -151.75 -75.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 50.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -91.0 82.32 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 m -75.8 137.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t 174.51 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.83 117.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.414 HG22 ' OD1' ' A' ' 56' ' ' ASP . 17.1 tt -142.35 145.95 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.65 158.99 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -64.98 -41.9 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.15 61.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -63.2 -44.64 94.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.47 -35.73 68.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -31.89 72.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -34.55 78.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -75.44 -34.02 60.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 60.48 166.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 63.53 128.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 60.82 -172.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -65.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -71.78 -30.96 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.21 -32.88 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' OD1' HG22 ' A' ' 40' ' ' ILE . 5.1 m-20 -60.32 -72.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.49 86.22 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -80.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.504 ' C ' ' HG ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -177.11 34.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.072 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 59' ' ' LEU . 96.3 p 52.71 -86.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.353 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.7 p -152.17 85.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.765 0.316 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 87' ' ' ILE . 83.8 mt 60.48 -179.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -83.37 78.16 9.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.53 127.7 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -115.7 -178.82 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -78.43 73.49 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -115.69 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -150.51 39.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.56 -42.16 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.3 -30.97 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.87 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -79.26 -36.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -31.04 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.053 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.28 -53.01 62.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.447 HG11 ' HG2' ' A' ' 82' ' ' ARG . 51.4 t -57.83 -38.77 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -75.22 -30.83 60.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.35 -61.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.6 -32.06 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 90.32 38.84 6.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.592 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -99.71 99.37 8.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.519 0.199 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.84 104.12 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.404 2.069 . . . . 0.0 112.51 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -147.05 137.55 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.413 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -105.38 99.39 9.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.441 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.67 98.75 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.359 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 4.4 mt-10 -151.42 150.21 30.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.762 0.315 . . . . 0.0 111.21 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 3.7 tt0 -140.74 95.98 2.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.811 1.291 . . . . 0.0 112.083 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.948 HG22 HD12 ' A' ' 94' ' ' LEU . 1.1 mm -127.03 94.41 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 N-CA-C 100.224 -3.991 . . . . 0.0 100.224 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -104.36 94.08 5.15 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.142 -174.347 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 94' ' ' LEU . 25.0 pt -51.43 -41.23 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -115.75 -62.24 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.336 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.08 178.98 9.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.469 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER 64.11 -94.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.602 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER 172.04 -179.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 111.001 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HG22 ' A' ' 87' ' ' ILE . 70.8 mt -138.4 99.44 3.84 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.068 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 1.1 pp -99.87 114.48 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.228 0.537 . . . . 0.0 109.936 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.63 150.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.065 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -98.75 118.56 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.308 0.575 . . . . 0.0 112.076 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.5 p -150.05 99.51 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -121.44 150.05 53.69 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.637 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 107' ' ' ILE . 63.9 Cg_endo -98.87 150.02 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.288 2.659 . . . . 0.0 112.18 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.801 HG22 HD13 ' A' ' 111' ' ' ILE . 31.4 m -123.42 131.32 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -63.48 132.02 50.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 -70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -121.24 28.51 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.38 -84.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.69 135.05 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 100' ' ' PRO . 15.4 tt -96.04 111.95 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.7 mm -119.41 -60.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.33 175.73 35.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -149.87 134.51 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.801 HD13 HG22 ' A' ' 101' ' ' VAL . 3.7 mp -109.42 148.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.99 136.21 40.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -99.95 129.09 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.91 100.24 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -149.96 102.56 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.923 0.392 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.88 98.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.17 153.92 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 99.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -148.89 100.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.24 148.95 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' ALA . 2.7 m -112.81 100.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.24 75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.66 108.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.82 30.82 20.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.38 155.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 38' ' ' THR . 3.7 tp10 -101.52 -2.13 31.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.405 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.15 32.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.854 0.359 . . . . 0.0 111.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 36' ' ' GLU . 10.1 t 179.31 49.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tt -141.5 112.65 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 40' ' ' ILE . 13.6 tt -150.03 119.81 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.3 -175.82 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.028 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.29 -54.85 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' HD12 ' A' ' 47' ' ' LEU . . . -56.19 -28.54 58.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.7 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -77.94 -42.64 32.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -57.32 -25.44 59.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -56.21 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.976 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -63.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -166.18 163.7 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -115.13 114.54 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 23.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.76 -156.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -44.39 -29.69 0.72 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -50.8 -29.8 12.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.04 -56.1 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 45.69 -170.57 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.454 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.38 164.75 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -75.12 -78.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.52 101.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.8 t -63.63 171.3 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 m 65.42 125.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.53 67.31 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -83.88 166.66 17.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.43 101.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.774 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t 62.83 178.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -104.28 140.35 37.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.8 m -158.26 -63.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -176.28 45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.6 -29.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.4 m -59.47 -34.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.67 -31.68 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.46 HG11 ' NH2' ' A' ' 83' ' ' ARG . 21.5 t -78.4 -30.38 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -74.35 -30.99 62.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.2 -54.01 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.78 -44.6 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.64 -46.99 77.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -60.94 -50.99 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.16 -65.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.22 -130.83 3.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.469 0.176 . . . . 0.0 111.094 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.83 70.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.67 2.246 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 98.83 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.66 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.653 ' HB2' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -151.19 142.27 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.71 151.59 21.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.535 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -99.04 99.52 10.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.778 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 87' ' ' ILE . 1.1 tp10 -150.4 96.09 2.34 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 122.547 1.165 . . . . 0.0 111.909 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.745 HG22 HD12 ' A' ' 94' ' ' LEU . 2.0 mp -123.1 93.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.596 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 172.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -111.78 99.1 7.87 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.677 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 94' ' ' LEU . 1.6 pp -79.59 111.94 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.598 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.17 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.431 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -131.46 -29.5 1.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -44.08 -40.95 5.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.71 0.291 . . . . 0.0 111.324 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 95' ' ' LEU . 5.0 tt 61.93 129.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -140.12 150.06 43.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.197 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -131.78 106.9 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.6 mp -112.37 150.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.64 128.78 45.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.132 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -148.06 100.03 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -142.22 150.44 55.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -98.43 100.65 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.246 2.631 . . . . 0.0 112.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 102' ' ' ARG . 10.2 p -142.52 158.99 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' N ' HG22 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -170.36 178.8 3.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -7.46 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -106.26 148.94 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.14 55.38 4.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.582 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.64 163.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 107' ' ' ILE . 6.6 tp -100.8 84.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 108' ' ' ILE . 9.1 tp -126.7 126.05 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.67 -178.92 5.28 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' ' 31' ' ' VAL . . . -148.37 149.92 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -116.82 130.37 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.785 ' N ' HD13 ' A' ' 111' ' ' ILE . 19.1 p -113.42 136.19 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.4 m -107.16 125.98 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.79 145.54 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -149.7 128.15 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.3 94.27 3.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mtp -87.45 -71.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' HD12 ' A' ' 5' ' ' LEU . . . -176.98 128.77 1.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 4' ' ' GLY . 2.4 mp -151.06 77.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -62.79 -52.37 64.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 75.4 Cg_exo -48.3 -25.77 7.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.644 2.229 . . . . 0.0 112.684 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.197 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -80.26 -63.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.06 -29.84 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 m -88.78 56.89 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -34.11 36.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -82.07 -22.01 36.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.5 -51.57 26.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.183 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.68 -30.89 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -34.64 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -34.94 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -75.62 -35.61 60.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.81 -47.99 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.96 -29.73 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.95 -68.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p 55.44 -171.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 26' ' ' GLU . 3.7 mp -90.71 -66.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttm 57.54 49.65 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HB2' HG22 ' A' ' 24' ' ' ILE . 10.3 tt0 -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.44 132.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.0 100.46 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.16 136.48 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.42 132.6 53.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.4 m -123.15 112.02 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -55.55 107.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 59.23 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -155.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.251 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.52 38.16 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.616 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.47 96.82 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.9 m -95.21 90.53 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.1 t -133.55 12.46 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.4 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -150.12 117.85 6.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.331 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.559 HD13 ' CG ' ' A' ' 45' ' ' GLN . 12.5 tt -112.39 149.32 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.86 152.19 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -58.64 -30.96 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -36.6 44.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.96 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CG ' HD13 ' A' ' 40' ' ' ILE . 68.6 mt-30 -70.61 -31.96 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.09 -66.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.33 -60.55 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.38 91.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -153.75 -62.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -142.17 166.72 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.46 -25.72 16.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.21 -31.68 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -70.8 -41.08 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -30.65 68.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -49.48 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -171.61 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 71.76 46.01 0.4 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -143.37 171.24 14.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 94.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.7 m -139.29 -46.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.844 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -86.16 55.56 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -82.86 -25.31 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 64.38 121.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.0 t -101.39 146.36 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.4 t-105 -145.9 175.15 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.15 -58.77 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.71 67.47 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 66' ' ' TRP . 35.4 m -72.51 -28.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.18 -28.45 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.1 -29.71 67.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.7 -43.23 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -58.23 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -59.1 -31.5 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.798 HG11 ' HD3' ' A' ' 82' ' ' ARG . 27.6 t -62.59 -47.83 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -75.67 -42.41 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -48.53 -47.43 39.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.901 0.382 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.7 149.14 25.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.59 65.95 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.557 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -121.72 140.08 31.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.515 0.198 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.81 -169.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.476 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.798 ' HD3' HG11 ' A' ' 75' ' ' VAL . 26.2 tpt180 -150.34 152.01 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 150.85 20.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.724 ' CB ' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.06 151.01 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.419 0.628 . . . . 0.0 112.029 -178.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -113.36 150.57 32.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.112 -179.336 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 88' ' ' THR . 14.4 tt0 -105.76 95.98 6.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 122.279 1.038 . . . . 0.0 111.794 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -114.07 94.76 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 N-CA-C 100.874 -3.75 . . . . 0.0 100.874 172.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.7 117.21 33.52 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.557 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.675 HG23 HD11 ' A' ' 94' ' ' LEU . 26.2 pt -70.96 -38.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -153.88 69.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 t70 66.22 17.51 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.076 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 79.81 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.183 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.575 ' N ' ' HB ' ' A' ' 88' ' ' THR . 2.1 pt? -44.84 124.35 4.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.43 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 10.7 mt -102.61 121.75 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.244 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -122.14 99.85 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.072 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -100.74 99.85 9.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.405 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p30 -133.87 150.38 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.464 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -108.06 110.91 22.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 82' ' ' ARG . 18.8 m -107.92 150.69 40.65 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.307 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.558 ' HB2' HD12 ' A' ' 107' ' ' ILE . 62.9 Cg_endo -98.15 139.32 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.207 2.604 . . . . 0.0 112.387 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.35 139.65 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.11 142.06 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -157.17 -169.8 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.58 38.7 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.4 -132.9 3.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.66 132.74 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 100' ' ' PRO . 8.8 pt -128.68 132.97 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.233 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 109' ' ' GLY . 30.9 mt -115.24 158.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 108' ' ' ILE . . . 73.84 163.27 8.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.329 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -144.74 149.81 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 111.247 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 mt -101.21 140.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 122.53 43.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.136 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.8 m -100.07 123.16 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.69 143.41 45.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -124.2 100.67 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.15 125.24 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -93.82 109.56 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.1 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -72.96 106.85 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 ttt 60.2 78.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.53 -160.15 17.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.402 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.4 mt -117.11 25.51 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -59.11 1.08 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.62 -22.61 15.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.581 2.187 . . . . 0.0 112.627 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -34.69 68.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.33 -57.72 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -64.44 -64.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.8 t 62.19 66.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -69.02 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.25 -31.16 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -56.61 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.87 -34.83 75.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.27 -22.6 66.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -55.57 -28.07 52.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -33.37 71.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.89 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -31.03 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -35.36 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.24 -31.44 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.4 t -57.49 161.84 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.15 -67.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.26 36.65 20.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.99 60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.02 -164.24 14.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.408 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -111.66 101.98 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 114' ' ' PHE . 35.2 t -141.32 114.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.86 51.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG12 HG13 ' A' ' 37' ' ' VAL . 5.7 m -115.39 131.93 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.74 76.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.2 t0 63.02 147.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.64 66.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.92 107.28 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 31' ' ' VAL . 16.4 m -105.11 36.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -61.14 -31.18 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.71 111.65 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 tt -102.71 148.02 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.43 165.04 25.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -66.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.15 -28.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -71.77 -30.84 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.07 -30.33 66.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.98 -57.63 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -69.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.0 -178.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -131.55 63.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 153.71 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 169.79 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t 70.71 -63.04 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.9 mt-30 -50.81 -60.13 3.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -69.4 -36.64 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -82.26 -173.14 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 65.42 176.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -60.04 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 54' ' ' GLN . 3.4 mp 51.05 68.93 0.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.076 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' THR . 83.4 p -131.91 35.58 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -160.35 159.61 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 87' ' ' ILE . 2.9 mt -60.54 -40.03 90.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -65.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 p80 -125.49 144.23 50.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.75 102.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -152.48 102.09 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -164.91 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.44 41.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.35 -29.15 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.31 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.09 -31.06 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.2 -50.0 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.4 t -58.41 -28.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 t -60.03 -22.05 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -75.83 -50.17 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.198 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 72' ' ' VAL . 31.2 m -59.0 -26.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.415 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.81 -53.36 15.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -60.92 -43.44 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.17 172.74 7.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.797 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.62 35.84 4.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.16 149.76 36.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.552 0.215 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.19 -171.13 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.811 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.9 tpt85 -150.14 150.66 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.41 150.57 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.588 ' HB3' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.31 150.98 21.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 111.45 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.85 150.16 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.271 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.545 ' CG ' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.28 95.38 5.72 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.211 1.005 . . . . 0.0 111.425 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.926 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -111.05 94.72 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 172.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.545 HG22 ' CG ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -110.34 112.99 25.29 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.7 -0.8 . . . . 0.0 112.302 -174.191 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 94' ' ' LEU . 21.3 pt -53.23 -40.07 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.618 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG13 ' A' ' 89' ' ' ILE . 9.4 mmmm -121.67 -80.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.78 20.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.6 mtt180 -94.6 -102.62 0.15 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER 159.54 124.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 87' ' ' ILE . 10.0 mt -112.33 102.4 10.55 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.705 0.288 . . . . 0.0 110.644 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.8 pp -106.6 99.77 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.373 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -100.27 99.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -150.32 150.09 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.286 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 111' ' ' ILE . 26.3 m -105.03 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 82' ' ' ARG . 35.6 m -134.6 149.0 69.68 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.385 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HB2' HD12 ' A' ' 107' ' ' ILE . 58.7 Cg_endo -98.78 100.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.266 2.644 . . . . 0.0 112.349 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.13 -178.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 102' ' ' ARG . 2.0 ttp-105 68.55 51.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.821 ' HB3' HG22 ' A' ' 107' ' ' ILE . 20.4 t -159.77 127.42 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.58 -49.47 66.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.8 145.27 12.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.8 t 59.41 68.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 ' HB3' ' A' ' 103' ' ' SER . 11.7 pt -54.57 112.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.87 -63.04 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.52 -179.24 46.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -150.04 150.06 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 98' ' ' THR . 4.7 mt -99.84 130.51 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.458 ' HG ' ' HE2' ' A' ' 114' ' ' PHE . 89.8 p -99.84 132.55 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.58 102.92 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.458 ' HE2' ' HG ' ' A' ' 112' ' ' SER . 30.2 p90 -149.71 138.13 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.8 mtm105 -140.02 124.5 18.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.741 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -108.75 145.5 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt 57.02 34.29 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.113 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.104 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 22.1 p-80 45.88 -167.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.747 0.308 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.12 158.34 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.51 -163.04 9.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.2 mm? -97.73 99.83 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 mt-10 -63.31 -45.08 84.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.303 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 87.2 Cg_exo -47.42 -28.94 9.2 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.417 2.078 . . . . 0.0 112.582 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -81.96 -35.31 29.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -82.3 -41.99 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.42 ' CG2' ' HA ' ' A' ' 7' ' ' PRO . 7.5 tt -57.44 -29.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -126.27 57.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -65.6 -30.5 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.74 -30.49 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -57.56 -55.45 34.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -29.0 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.55 -23.6 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -55.4 -31.43 61.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.03 -29.16 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.63 -61.29 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -30.82 68.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -33.31 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -58.22 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t 62.74 54.82 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 26' ' ' GLU . 44.7 mt 68.25 -68.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.33 28.5 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.623 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB2' HG22 ' A' ' 24' ' ' ILE . 2.7 mm-40 -78.69 81.75 4.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.008 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 120.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.33 99.91 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.16 128.29 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.22 119.9 39.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -103.72 150.22 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.89 107.96 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.73 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.14 -82.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.945 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.44 -86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.446 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 38' ' ' THR . 1.5 tp10 69.36 -65.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 67.45 27.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.2 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 36' ' ' GLU . 68.1 p -65.58 -26.88 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -112.69 109.22 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 tt -123.6 143.9 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.12 166.39 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.26 -30.96 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.14 31.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.23 -54.41 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.29 -38.69 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.71 -59.06 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.2 -72.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.19 155.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -70.34 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.3 -166.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.211 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.96 34.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -150.13 -61.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -30.97 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.41 -44.21 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.76 -69.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -94.01 127.26 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -145.64 160.14 42.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -44.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.6 m 60.87 35.39 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.84 140.36 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.517 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.8 mt -115.61 -64.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -122.79 19.15 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 51.46 78.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t 62.65 172.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -85.4 -43.1 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.4 m -152.23 -56.64 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -58.45 122.95 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.16 -68.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.396 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.0 t -80.05 -34.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.503 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -41.86 62.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 75' ' ' VAL . 41.4 t -72.28 -21.81 20.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.372 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -55.41 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.979 0.418 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -63.71 -21.72 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.672 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 72' ' ' VAL . 9.0 p -46.48 -37.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.742 0.306 . . . . 0.0 111.595 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.79 -31.39 35.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.75 -63.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.61 41.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.302 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -130.33 173.42 5.82 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 80' ' ' THR . 36.1 Cg_exo -57.7 -160.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.478 2.119 . . . . 0.0 112.442 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -150.15 150.6 31.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -99.39 151.07 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.649 ' CB ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -98.75 151.16 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.419 0.628 . . . . 0.0 111.59 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' OE1' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -118.94 150.15 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.505 -178.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 88' ' ' THR . 18.2 tt0 -109.08 95.75 5.84 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.358 1.075 . . . . 0.0 111.401 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.938 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -114.52 94.6 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.128 -3.656 . . . . 0.0 101.128 173.189 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -109.17 100.91 10.0 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.956 -174.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 94' ' ' LEU . 22.7 pt -47.77 -38.18 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.932 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.3 OUTLIER -133.16 -44.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.15 -39.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -70.09 98.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.22 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 2.5 pt? -49.52 132.25 20.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HG22 ' A' ' 87' ' ' ILE . 18.3 mt -102.08 112.75 25.53 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 110.694 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.649 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -120.15 99.8 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.998 0.428 . . . . 0.0 110.691 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -109.5 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.714 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -128.33 150.45 50.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.7 p -112.2 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 82' ' ' ARG . 22.8 m -104.15 150.18 38.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -98.58 112.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.14 2.56 . . . . 0.0 112.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.34 141.12 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 133.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 m -96.66 127.47 42.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 59.45 161.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.13 -79.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.532 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.7 t -105.16 71.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.88 72.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 109' ' ' GLY . 0.9 OUTLIER -119.04 -44.86 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -82.87 -179.49 52.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.87 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -100.49 150.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.72 129.3 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -100.23 140.83 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.08 108.98 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -123.73 147.84 47.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -146.53 138.2 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.13 168.75 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.168 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -151.37 113.62 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.41 85.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.54 -61.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt 58.85 58.15 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -61.62 -52.16 71.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 74.0 Cg_exo -49.25 -25.43 9.73 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.618 2.212 . . . . 0.0 112.544 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.89 -58.0 8.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.39 -35.18 75.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -58.09 -21.95 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -49.79 121.25 5.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.2 p -74.9 -28.89 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.263 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -41.69 75.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -28.53 54.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.84 -29.32 64.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -46.61 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -67.15 -42.11 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.8 -31.52 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.98 43.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -51.65 -32.04 27.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.43 -29.31 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -57.57 -26.2 61.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.96 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.595 HG22 ' HB2' ' A' ' 26' ' ' GLU . 4.2 mt -69.96 -44.12 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.16 30.12 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -135.3 132.87 38.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.66 -146.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.73 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.59 100.09 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.246 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.33 123.11 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.11 150.08 46.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.281 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.67 150.11 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.996 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -49.99 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -67.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.47 -31.48 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.16 -140.77 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 62.45 118.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 39' ' ' LEU . 21.2 t -115.65 -56.76 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 39' ' ' LEU . 2.3 p 69.45 -61.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.423 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.8 mp -108.55 150.02 28.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.431 HG12 ' HB3' ' A' ' 44' ' ' ALA . 9.3 tt -136.8 145.24 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -67.68 169.82 8.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.754 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 27.5 t70 -69.45 -56.63 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.47 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -68.01 -29.63 68.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.23 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 42' ' ' ASP . 3.0 mt-30 -68.21 -26.6 65.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.167 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.96 -27.4 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -57.33 12.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.52 -62.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -174.31 160.55 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.5 66.08 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -166.06 154.4 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -104.6 -164.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.49 -67.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -40.25 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.9 150.56 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 61.69 54.23 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 -172.54 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.67 99.69 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 m -87.04 -63.71 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -83.54 162.46 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.9 mt -92.3 179.57 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.6 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -173.87 149.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -109.05 68.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.22 40.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 145.17 49.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.13 83.94 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.32 -33.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.45 -31.88 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -60.35 -54.69 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.27 -28.89 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -72.87 -30.65 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.79 -51.48 40.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.42 -47.96 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 76' ' ' LEU . 12.9 mt -59.76 -34.75 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.756 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -44.91 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.27 -33.54 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.734 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 81.95 53.55 3.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.591 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.666 HG22 ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -144.48 139.73 15.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.666 ' HD2' HG22 ' A' ' 80' ' ' THR . 61.2 Cg_endo -73.07 96.42 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.439 2.093 . . . . 0.0 112.34 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.91 135.86 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 99.34 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.61 99.13 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.397 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.09 150.23 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' HG22 ' A' ' 88' ' ' THR . 3.5 tt0 -132.19 96.02 3.79 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.806 1.289 . . . . 0.0 112.064 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.95 HG22 HD12 ' A' ' 94' ' ' LEU . 2.7 mt -128.26 94.38 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 172.632 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.58 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -106.11 126.55 52.35 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.697 -173.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.819 HG23 HD11 ' A' ' 94' ' ' LEU . 35.5 pt -87.74 -34.39 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.06 63.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 t0 60.81 19.58 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -128.84 87.32 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.58 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -41.99 136.37 2.13 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.436 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.95 HD12 HG22 ' A' ' 87' ' ' ILE . 9.7 mt -99.73 99.61 10.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.645 0.259 . . . . 0.0 110.876 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.19 111.94 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.81 150.23 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.469 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -99.26 128.88 45.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.152 0.501 . . . . 0.0 111.721 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 112' ' ' SER . 24.9 p -147.19 99.9 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.289 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 100' ' ' PRO . 2.8 t -99.88 144.85 29.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HB2' HG21 ' A' ' 107' ' ' ILE . 51.2 Cg_endo -98.11 149.43 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.007 2.472 . . . . 0.0 112.266 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.9 144.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t 56.76 175.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -102.33 83.16 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.46 -92.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.5 132.24 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.733 HG21 ' HB2' ' A' ' 100' ' ' PRO . 29.6 mt -103.99 130.16 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.99 103.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.34 122.27 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.96 147.1 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.36 148.55 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.65 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.4 OUTLIER -118.91 142.93 47.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.0 m -128.44 100.75 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -105.78 132.0 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -143.9 99.89 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.71 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -102.49 131.57 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt 58.89 43.27 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 63.95 30.58 14.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ptm -142.73 166.38 24.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.29 129.13 9.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 8' ' ' TYR . 2.7 tp -115.81 124.14 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -81.36 -52.71 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 51.1 Cg_exo -55.36 -47.3 26.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.407 2.072 . . . . 0.0 112.157 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.689 ' HB2' HD23 ' A' ' 5' ' ' LEU . 31.0 t80 -63.74 -34.97 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mt -68.19 -22.6 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -97.39 30.7 2.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -82.12 -45.19 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 14' ' ' PHE . 4.6 pp -74.89 -30.19 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' N ' HD12 ' A' ' 13' ' ' LEU . 1.5 m-85 -68.33 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -33.5 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.75 -41.18 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -78.67 -26.19 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.28 -43.47 83.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.7 -30.69 41.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.1 mtt -68.97 -23.52 64.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.232 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -37.62 75.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -69.06 -61.83 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.28 111.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm 60.09 110.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -103.7 34.62 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.55 -67.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.48 -146.9 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.641 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -133.55 108.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 111.078 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 111' ' ' ILE . 43.6 t -144.8 140.17 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 138.19 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.11 150.36 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -55.75 -48.77 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -93.48 -67.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 124.0 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.7 -52.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 58.83 32.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -40.94 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -118.98 118.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 45' ' ' GLN . 9.5 tt -126.61 149.92 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.7 163.5 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.32 -71.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.78 -27.14 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.459 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -56.58 -48.67 76.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.203 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CG ' HD13 ' A' ' 40' ' ' ILE . 46.3 mt-30 -60.85 -26.69 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.26 -29.21 46.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.07 -55.73 20.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -69.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -174.26 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 32.4 p90 -105.95 60.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HG2' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -101.31 -174.44 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.38 -37.19 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -113.87 -39.43 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 51' ' ' ARG . 13.9 tm0? -58.37 -39.9 80.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.955 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.761 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -83.58 -44.06 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.95 130.05 34.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.711 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.84 117.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.69 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.48 129.51 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -76.71 175.05 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.2 m -120.74 -56.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.846 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -81.56 122.27 27.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 t -176.72 152.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.28 74.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.9 156.9 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.2 73.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -81.86 -29.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.69 -34.84 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.97 -39.99 94.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.81 -30.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.4 t -61.23 -24.31 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -57.38 -33.44 67.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 82' ' ' ARG . 34.4 t -53.93 -53.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.191 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.69 -28.22 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -67.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.32 -48.2 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' A' ' 100' ' ' PRO . . . 119.17 -15.64 10.89 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.885 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.6 p -57.81 109.83 2.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 122.843 -0.21 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.03 111.38 2.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.49 2.127 . . . . 0.0 112.564 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.561 ' HG2' HG13 ' A' ' 75' ' ' VAL . 14.3 ptm180 -147.35 145.59 29.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.256 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.52 99.06 8.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 0.0 111.601 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.18 97.64 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.214 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 3.3 mt-10 -152.58 150.39 29.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.339 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 9.2 tt0 -144.5 95.75 2.76 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.882 1.325 . . . . 0.0 111.825 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -126.39 94.45 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 100.393 -3.929 . . . . 0.0 100.393 172.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.518 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.08 84.64 2.01 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.95 -174.556 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.717 HD12 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.15 -33.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.907 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.79 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.763 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -159.67 -41.95 0.05 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.727 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.93 105.14 6.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -42.89 142.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.158 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 20.8 mt -99.47 108.49 20.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.721 0.296 . . . . 0.0 111.145 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -113.16 104.63 12.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.11 0.481 . . . . 0.0 109.934 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -98.91 146.26 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.094 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -98.77 114.16 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.223 0.535 . . . . 0.0 111.835 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.52 100.87 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.125 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 11.4 p -99.6 143.69 26.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 107' ' ' ILE . 54.4 Cg_endo -98.48 150.17 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.243 2.629 . . . . 0.0 112.364 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -49.08 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -54.86 109.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -148.4 136.76 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.67 131.25 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -108.41 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 107' ' ' ILE . 10.1 p -58.36 159.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 100' ' ' PRO . 9.9 tt -159.54 118.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 107' ' ' ILE . 19.3 mm -138.09 151.48 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.15 143.54 2.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.6 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.62 148.3 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 29' ' ' VAL . 3.2 mp -101.66 142.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 137.67 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.9 m -133.18 130.3 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -137.12 116.77 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -149.66 100.35 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -116.01 121.86 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -177.23 159.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.079 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -48.3 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 mtp -65.22 -53.73 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.53 84.67 1.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.13 36.75 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.45 -52.9 10.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 52.1 Cg_exo -54.4 -29.53 59.06 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.422 2.081 . . . . 0.0 112.171 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -74.45 -31.3 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -21.87 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.305 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.02 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.377 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 175.49 44.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -81.49 -46.57 14.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 -37.2 28.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -29.98 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -80.22 -29.75 38.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.73 -29.01 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.045 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -45.92 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -22.49 65.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.69 -35.86 61.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.379 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -78.8 -29.4 44.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.96 -24.36 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.174 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -55.21 -72.19 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.68 -168.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.12 118.16 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -89.33 52.97 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -96.27 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.4 171.54 26.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -133.85 125.72 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.32 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -149.75 105.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.07 141.3 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 110' ' ' ALA . 3.6 m -125.51 149.89 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.35 63.68 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t0 64.01 -77.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.21 72.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' HB ' ' A' ' 31' ' ' VAL . . . 108.03 111.77 3.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.64 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -84.35 -168.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.58 29.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -176.59 75.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mt -149.88 99.79 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 tt -150.13 145.35 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 146.23 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.86 -34.04 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.92 60.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.43 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -60.23 -32.5 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -69.58 -29.5 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.05 -31.51 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CG ' ' A' ' 55' ' ' ASP . 1.2 mp -77.5 -43.02 33.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t30 58.89 37.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -123.16 -69.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -167.11 165.4 15.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -104.01 30.55 5.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 m -110.27 -46.63 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -32.02 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.4 m-20 -60.47 -48.33 82.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.23 86.07 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -160.31 -176.72 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -53.97 126.49 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.37 49.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -129.03 136.65 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.14 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' A' ' 87' ' ' ILE . 74.7 mt -77.36 -49.8 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.54 151.34 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -63.86 143.21 58.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.23 117.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -81.04 68.47 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -123.53 -47.0 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.57 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 72' ' ' VAL . 22.5 t -58.54 -45.77 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.66 -29.18 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.68 -57.3 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.788 ' O ' HG12 ' A' ' 75' ' ' VAL . 10.7 p -58.09 -22.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -82.04 -22.77 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.97 -32.36 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 72' ' ' VAL . 12.4 p -63.54 -29.27 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.19 -28.4 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -28.76 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.337 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -95.13 128.02 41.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.75 62.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.2 p -56.76 123.95 61.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.09 122.45 4.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.64 2.227 . . . . 0.0 112.599 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' H ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -150.09 133.07 16.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.81 101.16 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.28 99.34 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.519 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.04 150.39 30.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' HG3' HG22 ' A' ' 88' ' ' THR . 17.7 tt0 -133.59 95.85 3.57 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.575 1.179 . . . . 0.0 111.582 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.987 HG22 HD12 ' A' ' 94' ' ' LEU . 1.5 mp -120.61 94.64 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.519 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -108.28 104.41 13.79 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.69 -0.804 . . . . 0.0 112.201 -174.496 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.5 -25.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.404 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -143.68 -75.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.426 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.47 20.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.816 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -124.47 88.82 2.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.324 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.519 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.1 128.84 4.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.987 HD12 HG22 ' A' ' 87' ' ' ILE . 16.6 mt -99.54 100.25 11.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.637 0.256 . . . . 0.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 95' ' ' LEU . 2.1 pp -99.68 116.23 31.31 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.4 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.329 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -98.57 104.83 16.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.409 0.623 . . . . 0.0 112.03 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 112' ' ' SER . 23.4 p -142.96 99.51 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.647 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.467 HG11 ' H ' ' A' ' 82' ' ' ARG . 18.4 m -138.58 150.98 67.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.621 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.86 ' HB2' HD11 ' A' ' 107' ' ' ILE . 67.1 Cg_endo -98.57 115.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.313 2.675 . . . . 0.0 112.258 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 101' ' ' VAL . 13.2 p -93.32 20.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.431 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -78.95 141.48 37.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 p -58.78 157.89 8.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -58.19 176.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.75 79.83 0.99 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.91 77.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 100' ' ' PRO . 3.6 tt -63.81 140.68 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.14 136.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.41 125.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -148.68 150.17 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 pt -105.56 137.12 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.605 ' HA ' HG22 ' A' ' 98' ' ' THR . 4.6 p -103.98 149.85 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -117.39 129.28 55.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -149.32 134.9 18.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -137.24 103.74 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.89 148.11 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -146.22 179.8 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.044 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -99.4 85.21 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ptm -116.45 171.15 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.69 61.11 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.44 111.39 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.27 -53.06 11.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.077 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 77.4 Cg_exo -49.83 -29.8 21.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.51 2.14 . . . . 0.0 112.418 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -78.54 -29.87 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -30.53 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.37 -64.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -145.16 115.63 7.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -74.45 -23.14 58.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.37 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.5 mm? -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.6 -56.48 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -71.84 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.05 -44.17 78.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -32.13 69.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.01 -55.33 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.59 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.984 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -23.13 60.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.79 -59.52 4.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.8 -54.04 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.651 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 24' ' ' ILE . 5.0 p 49.71 69.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 23' ' ' SER . 2.1 mt 82.26 -48.43 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt 71.13 27.41 3.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 110.735 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 67.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.44 141.42 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.32 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.04 101.84 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' A' ' 114' ' ' PHE . 15.5 t -150.0 104.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.62 148.27 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 m -108.97 130.38 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.3 65.03 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.56 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.185 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -43.31 88.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 124.42 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.51 123.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 37' ' ' VAL . 19.8 t -138.45 36.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.918 HG23 HD12 ' A' ' 39' ' ' LEU . 3.1 t -78.43 -30.08 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.918 HD12 HG23 ' A' ' 38' ' ' THR . 2.0 mp -107.01 130.78 54.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 45' ' ' GLN . 15.2 tt -108.07 148.9 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.14 -176.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.32 -61.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.87 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.47 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.327 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 40' ' ' ILE . 49.6 mt-30 -78.38 -34.45 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.44 -24.29 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -61.83 2.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.39 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.61 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -174.78 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 60.83 166.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -157.44 30.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -168.56 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.31 -40.79 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -60.87 -31.05 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -113.78 -165.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 68.03 155.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 122.48 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.09 99.0 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.52 -168.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -61.52 171.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.22 -34.59 20.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.09 59.54 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.87 171.46 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 t -139.41 95.96 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.94 -27.98 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -135.94 -75.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -166.67 44.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.55 -39.32 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.244 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.37 -25.27 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.6 -42.31 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 75' ' ' VAL . 12.5 m -76.57 -26.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 m -56.61 -26.19 55.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.95 -23.23 52.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.6 p -54.92 -37.41 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.217 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.48 -31.28 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -67.83 -53.71 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.84 -74.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.91 70.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.92 101.69 3.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.544 0.211 . . . . 0.0 111.061 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.14 111.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.565 2.177 . . . . 0.0 112.704 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 145.78 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -114.74 98.5 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.638 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HG3' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -151.52 98.5 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -151.54 150.36 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.069 0.461 . . . . 0.0 111.981 -178.645 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 88' ' ' THR . 16.5 tt0 -146.11 95.17 2.58 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.558 1.17 . . . . 0.0 110.853 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 94' ' ' LEU . 26.0 mt -121.31 94.44 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 172.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.651 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -104.71 89.55 3.22 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.97 -174.294 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.11 -26.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.728 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 89' ' ' ILE . 1.1 tptp -164.18 71.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.699 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 60.71 18.85 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.95 79.43 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.05 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.651 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -47.27 125.67 8.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.201 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 87' ' ' ILE . 5.8 mt -99.22 143.84 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.0 0.429 . . . . 0.0 110.841 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -141.24 105.09 4.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -99.01 150.39 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.335 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -98.94 113.28 25.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.175 0.512 . . . . 0.0 111.874 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -135.98 99.72 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.137 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -104.1 150.52 38.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.528 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.933 ' HB2' HD11 ' A' ' 107' ' ' ILE . 61.1 Cg_endo -98.2 148.0 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.141 2.56 . . . . 0.0 112.372 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 m -52.15 131.07 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.344 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -82.78 75.04 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.4 p -83.62 164.23 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.87 -35.51 13.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 104.57 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.04 127.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.933 HD11 ' HB2' ' A' ' 100' ' ' PRO . 20.2 tt -89.9 130.1 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.6 tt -143.06 132.85 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.56 157.19 33.39 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.66 139.44 31.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.4 mt -102.55 146.69 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.221 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -112.75 147.43 36.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 m -147.1 132.5 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' A' ' 29' ' ' VAL . 6.3 p90 -142.15 118.55 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 103.71 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.13 130.63 53.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.75 36.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.129 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -169.91 37.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.2 -35.15 5.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.8 78.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.65 35.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -61.88 -60.41 10.34 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 40.9 Cg_endo -67.16 -45.93 3.47 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.533 2.155 . . . . 0.0 112.648 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.17 73.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.029 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -59.98 -35.19 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.95 -66.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.02 85.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -77.01 -32.23 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -31.14 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -30.89 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.91 -49.68 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.8 -31.98 73.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -72.65 -40.82 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -74.34 -30.18 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.74 23.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.478 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -58.37 -21.94 51.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 21' ' ' LEU . 4.0 pp -52.93 -26.63 15.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.32 -30.05 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.987 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.0 m -65.03 110.46 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -150.05 141.43 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -21.15 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.367 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.36 128.46 31.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.4 -150.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.384 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.86 113.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 29' ' ' VAL . 10.8 p -144.88 109.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.58 146.13 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.5 149.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.4 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.54 -72.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.56 -36.4 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.17 55.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.399 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -96.4 100.89 12.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.6 t -84.43 79.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 p -109.23 -23.04 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.318 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.87 146.77 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.8 tt -144.72 140.62 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.47 159.66 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -60.53 -42.05 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.78 48.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.3 87.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -60.65 -30.44 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -70.08 -41.21 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 47' ' ' LEU . 7.5 tp -57.68 -32.45 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 71.27 -64.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.833 0.349 . . . . 0.0 110.62 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -85.73 142.27 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.699 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -98.92 67.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -95.29 -168.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.45 16.96 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -30.07 31.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.797 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -60.82 -40.74 93.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.75 163.6 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 63.12 -163.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 68.09 140.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -92.55 170.26 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.7 p -74.63 -73.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 t -60.43 140.45 57.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -110.91 101.98 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.91 99.09 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -74.45 73.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 53.79 60.51 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -151.95 124.46 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t 61.01 173.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -106.0 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.5 m -73.02 -23.23 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.9 m -72.44 -25.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.6 -42.76 67.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 17.1 m -67.15 -23.39 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -22.15 44.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -51.03 -27.47 8.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.306 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.7 p -58.18 -27.79 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.217 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -79.57 -31.47 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -65.57 -55.13 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.24 -30.96 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.86 45.78 5.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 103.5 50.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.453 0.168 . . . . 0.0 111.049 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 122.78 12.3 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.403 2.069 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.57 149.75 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -124.13 98.82 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.027 0.441 . . . . 0.0 111.732 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.36 98.62 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.799 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -151.4 150.32 30.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.774 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG3' HG22 ' A' ' 88' ' ' THR . 7.2 tt0 -144.34 95.68 2.75 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.706 1.241 . . . . 0.0 111.395 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 94' ' ' LEU . 1.6 mp -123.38 94.79 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 100.692 -3.818 . . . . 0.0 100.692 173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -107.94 89.81 3.11 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.957 -174.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 94' ' ' LEU . 26.5 pt -50.06 -40.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.09 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 89' ' ' ILE . 3.5 mmtp -116.14 -48.34 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.973 0.416 . . . . 0.0 111.051 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -174.51 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.476 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -75.67 100.01 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.657 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.05 136.36 2.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 87' ' ' ILE . 9.9 mt -99.47 130.15 45.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.337 . . . . 0.0 110.793 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -123.32 109.31 13.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.288 179.03 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.84 150.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.139 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -98.74 133.91 42.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.298 0.571 . . . . 0.0 112.015 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.0 p -149.64 99.64 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.17 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.23 151.0 37.62 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.645 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.874 ' HB2' HD13 ' A' ' 107' ' ' ILE . 44.3 Cg_endo -97.59 109.14 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.168 2.578 . . . . 0.0 112.373 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 100' ' ' PRO . 27.1 m 47.14 -176.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.792 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -121.41 32.65 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.441 ' H ' HG23 ' A' ' 101' ' ' VAL . 37.0 t -133.31 -178.23 4.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -130.31 125.56 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 137.36 -94.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.19 120.36 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.874 HD13 ' HB2' ' A' ' 100' ' ' PRO . 37.6 mt -108.23 112.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.64 -66.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.9 162.07 14.78 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.53 138.04 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.96 137.7 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.83 143.43 44.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.4 m -109.93 134.0 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -141.21 139.5 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -148.76 119.52 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -115.58 106.59 14.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.052 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.671 ' O ' HD12 ' A' ' 5' ' ' LEU . 11.0 p-80 -140.19 -45.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.91 -43.92 94.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.95 82.22 0.87 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 2' ' ' HIS . 10.6 mt -146.1 -68.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -80.5 -52.76 0.92 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 74.6 Cg_exo -49.65 -36.82 42.21 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.615 2.21 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -73.75 -29.98 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.15 -44.58 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 pt -68.41 -29.83 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m 59.98 88.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.42 -26.51 41.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.234 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 13' ' ' LEU . 9.7 tt -56.74 -30.18 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -80.42 -44.77 18.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -60.04 -35.08 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' HG2' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -61.44 -25.72 67.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -52.08 -29.97 23.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.1 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 mtt -75.08 -22.1 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.448 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -54.49 -32.64 58.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.106 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.85 -61.62 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t 61.55 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.43 132.92 65.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 36.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 35.06 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.37 168.88 36.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -125.73 103.51 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -149.87 107.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.59 139.01 49.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 110' ' ' ALA . 33.9 m -113.48 149.44 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.69 64.55 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.176 0.512 . . . . 0.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 52.25 26.49 4.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.343 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -151.75 -75.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 50.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -91.0 82.32 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 m -75.8 137.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t 174.51 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.83 117.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.414 HG22 ' OD1' ' A' ' 56' ' ' ASP . 17.1 tt -142.35 145.95 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.65 158.99 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -64.98 -41.9 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.15 61.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -63.2 -44.64 94.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.47 -35.73 68.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -31.89 72.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -34.55 78.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -75.44 -34.02 60.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 60.48 166.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 63.53 128.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 60.82 -172.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -65.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -71.78 -30.96 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.21 -32.88 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' OD1' HG22 ' A' ' 40' ' ' ILE . 5.1 m-20 -60.32 -72.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.49 86.22 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -80.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' C ' ' HG ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -177.11 34.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.072 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 59' ' ' LEU . 96.3 p 52.71 -86.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.353 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.7 p -152.17 85.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.765 0.316 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 87' ' ' ILE . 83.8 mt 60.48 -179.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -83.37 78.16 9.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -66.53 127.7 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -115.7 -178.82 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -78.43 73.49 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -115.69 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -150.51 39.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.56 -42.16 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.3 -30.97 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.87 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -79.26 -36.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -31.04 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.053 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.28 -53.01 62.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.447 HG11 ' HG2' ' A' ' 82' ' ' ARG . 51.4 t -57.83 -38.77 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -75.22 -30.83 60.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.35 -61.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.6 -32.06 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 90.32 38.84 6.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.592 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -99.71 99.37 8.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.519 0.199 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.84 104.12 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.404 2.069 . . . . 0.0 112.51 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -147.05 137.55 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.413 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -105.38 99.39 9.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.441 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.67 98.75 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.359 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 4.4 mt-10 -151.42 150.21 30.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.762 0.315 . . . . 0.0 111.21 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 3.7 tt0 -140.74 95.98 2.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.811 1.291 . . . . 0.0 112.083 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.948 HG22 HD12 ' A' ' 94' ' ' LEU . 1.1 mm -127.03 94.41 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 N-CA-C 100.224 -3.991 . . . . 0.0 100.224 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -104.36 94.08 5.15 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.142 -174.347 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 94' ' ' LEU . 25.0 pt -51.43 -41.23 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -115.75 -62.24 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.336 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.08 178.98 9.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.469 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER 64.11 -94.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.602 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER 172.04 -179.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 111.001 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HG22 ' A' ' 87' ' ' ILE . 70.8 mt -138.4 99.44 3.84 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.068 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 1.1 pp -99.87 114.48 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.228 0.537 . . . . 0.0 109.936 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.63 150.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.065 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -98.75 118.56 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.308 0.575 . . . . 0.0 112.076 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.5 p -150.05 99.51 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -121.44 150.05 53.69 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.637 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 107' ' ' ILE . 63.9 Cg_endo -98.87 150.02 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.288 2.659 . . . . 0.0 112.18 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.801 HG22 HD13 ' A' ' 111' ' ' ILE . 31.4 m -123.42 131.32 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -63.48 132.02 50.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 -70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -121.24 28.51 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.38 -84.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.69 135.05 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 100' ' ' PRO . 15.4 tt -96.04 111.95 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.7 mm -119.41 -60.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.33 175.73 35.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -149.87 134.51 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.801 HD13 HG22 ' A' ' 101' ' ' VAL . 3.7 mp -109.42 148.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.99 136.21 40.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -99.95 129.09 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.91 100.24 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -149.96 102.56 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -129.69 125.58 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -175.01 145.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 118' ' ' THR . 3.9 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.073 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -144.55 55.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.99 -172.7 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.26 31.72 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.615 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.4 17.46 17.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.703 0.287 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -77.71 -63.17 0.49 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 6' ' ' GLU . 20.7 Cg_endo -60.64 -28.41 86.51 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.414 2.076 . . . . 0.0 112.341 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.24 -32.2 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.17 -30.4 30.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mm -60.19 -59.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m 63.42 115.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -78.3 -31.67 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.246 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.42 -36.69 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.09 -29.89 34.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.89 -50.1 14.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -30.99 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -69.65 -51.2 36.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.83 -29.24 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.254 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 tpt -67.57 -52.32 40.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.22 -68.9 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.12 -63.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p 62.54 160.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 26' ' ' GLU . 32.7 mm -76.46 134.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 31.08 6.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.696 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 24' ' ' ILE . 9.8 tp10 -59.88 98.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.17 153.92 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 99.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -148.89 100.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.24 148.95 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' ALA . 2.7 m -112.81 100.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.24 75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.66 108.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.82 30.82 20.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.38 155.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 38' ' ' THR . 3.7 tp10 -101.52 -2.13 31.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.405 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.15 32.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.854 0.359 . . . . 0.0 111.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 36' ' ' GLU . 10.1 t 179.31 49.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tt -141.5 112.65 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 40' ' ' ILE . 13.6 tt -150.03 119.81 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.3 -175.82 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.028 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.29 -54.85 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' HD12 ' A' ' 47' ' ' LEU . . . -56.19 -28.54 58.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.7 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -77.94 -42.64 32.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -57.32 -25.44 59.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -56.21 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.976 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -63.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -166.18 163.7 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -115.13 114.54 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 23.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.76 -156.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -44.39 -29.69 0.72 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -50.8 -29.8 12.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.04 -56.1 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 45.69 -170.57 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.454 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.38 164.75 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -75.12 -78.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.52 101.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.8 t -63.63 171.3 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 m 65.42 125.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.53 67.31 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -83.88 166.66 17.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.43 101.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.774 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t 62.83 178.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -104.28 140.35 37.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.8 m -158.26 -63.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -176.28 45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.6 -29.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.4 m -59.47 -34.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.67 -31.68 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.46 HG11 ' NH2' ' A' ' 83' ' ' ARG . 21.5 t -78.4 -30.38 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -74.35 -30.99 62.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.2 -54.01 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.78 -44.6 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.64 -46.99 77.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -60.94 -50.99 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.16 -65.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.22 -130.83 3.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.469 0.176 . . . . 0.0 111.094 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.83 70.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.67 2.246 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 98.83 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.66 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.653 ' HB2' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -151.19 142.27 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.71 151.59 21.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.535 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -99.04 99.52 10.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.778 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 87' ' ' ILE . 1.1 tp10 -150.4 96.09 2.34 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 122.547 1.165 . . . . 0.0 111.909 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.745 HG22 HD12 ' A' ' 94' ' ' LEU . 2.0 mp -123.1 93.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.596 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 172.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -111.78 99.1 7.87 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.677 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 94' ' ' LEU . 1.6 pp -79.59 111.94 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.598 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.17 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.431 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -131.46 -29.5 1.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -44.08 -40.95 5.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.71 0.291 . . . . 0.0 111.324 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 95' ' ' LEU . 5.0 tt 61.93 129.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -140.12 150.06 43.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.197 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -131.78 106.9 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.6 mp -112.37 150.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.64 128.78 45.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.132 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -148.06 100.03 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -142.22 150.44 55.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -98.43 100.65 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.246 2.631 . . . . 0.0 112.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 102' ' ' ARG . 10.2 p -142.52 158.99 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' N ' HG22 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -170.36 178.8 3.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -7.46 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -106.26 148.94 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.14 55.38 4.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.582 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.64 163.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 107' ' ' ILE . 6.6 tp -100.8 84.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 108' ' ' ILE . 9.1 tp -126.7 126.05 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.67 -178.92 5.28 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' ' 31' ' ' VAL . . . -148.37 149.92 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -116.82 130.37 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.785 ' N ' HD13 ' A' ' 111' ' ' ILE . 19.1 p -113.42 136.19 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.4 m -107.16 125.98 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.79 145.54 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -149.7 128.15 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.538 ' O ' HG22 ' A' ' 118' ' ' THR . 0.1 OUTLIER -145.88 145.95 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.1 29.91 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 116' ' ' ASP . 4.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.44 132.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.0 100.46 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.16 136.48 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.42 132.6 53.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.4 m -123.15 112.02 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -55.55 107.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 59.23 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -155.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.251 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.52 38.16 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.616 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.47 96.82 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.9 m -95.21 90.53 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.1 t -133.55 12.46 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.4 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -150.12 117.85 6.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.331 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.559 HD13 ' CG ' ' A' ' 45' ' ' GLN . 12.5 tt -112.39 149.32 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.86 152.19 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -58.64 -30.96 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -36.6 44.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.96 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CG ' HD13 ' A' ' 40' ' ' ILE . 68.6 mt-30 -70.61 -31.96 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.09 -66.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.33 -60.55 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.38 91.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -153.75 -62.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -142.17 166.72 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.46 -25.72 16.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.21 -31.68 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -70.8 -41.08 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -30.65 68.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -49.48 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -171.61 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 71.76 46.01 0.4 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -143.37 171.24 14.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 94.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.7 m -139.29 -46.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.844 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -86.16 55.56 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -82.86 -25.31 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 64.38 121.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.0 t -101.39 146.36 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.4 t-105 -145.9 175.15 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.15 -58.77 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.71 67.47 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 66' ' ' TRP . 35.4 m -72.51 -28.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.18 -28.45 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.1 -29.71 67.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.7 -43.23 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -58.23 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -59.1 -31.5 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.798 HG11 ' HD3' ' A' ' 82' ' ' ARG . 27.6 t -62.59 -47.83 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -75.67 -42.41 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -48.53 -47.43 39.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.901 0.382 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.7 149.14 25.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.59 65.95 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.557 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -121.72 140.08 31.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.515 0.198 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.81 -169.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.476 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.798 ' HD3' HG11 ' A' ' 75' ' ' VAL . 26.2 tpt180 -150.34 152.01 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 150.85 20.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.724 ' CB ' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.06 151.01 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.419 0.628 . . . . 0.0 112.029 -178.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -113.36 150.57 32.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.112 -179.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 88' ' ' THR . 14.4 tt0 -105.76 95.98 6.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 122.279 1.038 . . . . 0.0 111.794 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -114.07 94.76 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 N-CA-C 100.874 -3.75 . . . . 0.0 100.874 172.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.7 117.21 33.52 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.557 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.675 HG23 HD11 ' A' ' 94' ' ' LEU . 26.2 pt -70.96 -38.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -153.88 69.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 t70 66.22 17.51 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.076 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 79.81 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.183 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.575 ' N ' ' HB ' ' A' ' 88' ' ' THR . 2.1 pt? -44.84 124.35 4.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.43 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 10.7 mt -102.61 121.75 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.244 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -122.14 99.85 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.072 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -100.74 99.85 9.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.405 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p30 -133.87 150.38 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.464 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -108.06 110.91 22.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 82' ' ' ARG . 18.8 m -107.92 150.69 40.65 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.307 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.558 ' HB2' HD12 ' A' ' 107' ' ' ILE . 62.9 Cg_endo -98.15 139.32 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.207 2.604 . . . . 0.0 112.387 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.35 139.65 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.11 142.06 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -157.17 -169.8 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.58 38.7 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.4 -132.9 3.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.66 132.74 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 100' ' ' PRO . 8.8 pt -128.68 132.97 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.233 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 109' ' ' GLY . 30.9 mt -115.24 158.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 108' ' ' ILE . . . 73.84 163.27 8.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.329 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -144.74 149.81 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 111.247 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 mt -101.21 140.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 122.53 43.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.136 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.8 m -100.07 123.16 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.69 143.41 45.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -124.2 100.67 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.903 0.382 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.99 60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.02 -164.24 14.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.408 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -111.66 101.98 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 114' ' ' PHE . 35.2 t -141.32 114.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.86 51.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.402 HG12 HG13 ' A' ' 37' ' ' VAL . 5.7 m -115.39 131.93 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.74 76.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.2 t0 63.02 147.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.64 66.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.92 107.28 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 31' ' ' VAL . 16.4 m -105.11 36.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -61.14 -31.18 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.71 111.65 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 tt -102.71 148.02 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.43 165.04 25.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -66.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.15 -28.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -71.77 -30.84 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.07 -30.33 66.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.98 -57.63 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -69.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.0 -178.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -131.55 63.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 153.71 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 169.79 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t 70.71 -63.04 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.9 mt-30 -50.81 -60.13 3.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -69.4 -36.64 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -82.26 -173.14 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 65.42 176.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -60.04 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 54' ' ' GLN . 3.4 mp 51.05 68.93 0.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.076 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' THR . 83.4 p -131.91 35.58 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -160.35 159.61 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 87' ' ' ILE . 2.9 mt -60.54 -40.03 90.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -65.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -125.49 144.23 50.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.75 102.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -152.48 102.09 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -164.91 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.44 41.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.35 -29.15 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.31 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.09 -31.06 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.2 -50.0 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.4 t -58.41 -28.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 t -60.03 -22.05 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -75.83 -50.17 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.198 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 72' ' ' VAL . 31.2 m -59.0 -26.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.415 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.81 -53.36 15.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -60.92 -43.44 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.17 172.74 7.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.797 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.62 35.84 4.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.16 149.76 36.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.552 0.215 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.19 -171.13 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.811 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.9 tpt85 -150.14 150.66 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.41 150.57 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.588 ' HB3' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.31 150.98 21.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 111.45 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.85 150.16 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.271 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.545 ' CG ' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.28 95.38 5.72 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.211 1.005 . . . . 0.0 111.425 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.926 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -111.05 94.72 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 172.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.545 HG22 ' CG ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -110.34 112.99 25.29 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.7 -0.8 . . . . 0.0 112.302 -174.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 94' ' ' LEU . 21.3 pt -53.23 -40.07 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.618 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG13 ' A' ' 89' ' ' ILE . 9.4 mmmm -121.67 -80.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.78 20.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.6 mtt180 -94.6 -102.62 0.15 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER 159.54 124.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 87' ' ' ILE . 10.0 mt -112.33 102.4 10.55 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.705 0.288 . . . . 0.0 110.644 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.8 pp -106.6 99.77 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.373 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -100.27 99.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -150.32 150.09 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.286 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 111' ' ' ILE . 26.3 m -105.03 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 82' ' ' ARG . 35.6 m -134.6 149.0 69.68 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.385 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HB2' HD12 ' A' ' 107' ' ' ILE . 58.7 Cg_endo -98.78 100.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.266 2.644 . . . . 0.0 112.349 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.13 -178.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 102' ' ' ARG . 2.0 ttp-105 68.55 51.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.821 ' HB3' HG22 ' A' ' 107' ' ' ILE . 20.4 t -159.77 127.42 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.58 -49.47 66.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.8 145.27 12.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.8 t 59.41 68.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 ' HB3' ' A' ' 103' ' ' SER . 11.7 pt -54.57 112.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.87 -63.04 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.52 -179.24 46.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -150.04 150.06 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 98' ' ' THR . 4.7 mt -99.84 130.51 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.458 ' HG ' ' HE2' ' A' ' 114' ' ' PHE . 89.8 p -99.84 132.55 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.58 102.92 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.458 ' HE2' ' HG ' ' A' ' 112' ' ' SER . 30.2 p90 -149.71 138.13 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.8 mtm105 -140.02 124.5 18.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.741 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.949 0.404 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -78.69 81.75 4.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.008 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 120.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.33 99.91 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.16 128.29 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.22 119.9 39.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -103.72 150.22 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.89 107.96 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.73 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.14 -82.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.945 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.44 -86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.446 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 38' ' ' THR . 1.5 tp10 69.36 -65.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 67.45 27.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.2 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 36' ' ' GLU . 68.1 p -65.58 -26.88 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -112.69 109.22 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 tt -123.6 143.9 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.12 166.39 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.26 -30.96 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.14 31.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.23 -54.41 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.29 -38.69 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.71 -59.06 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.2 -72.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.19 155.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -70.34 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.3 -166.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.211 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.96 34.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -150.13 -61.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -30.97 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.41 -44.21 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.76 -69.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -94.01 127.26 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -145.64 160.14 42.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -44.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.6 m 60.87 35.39 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.84 140.36 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.517 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.8 mt -115.61 -64.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -122.79 19.15 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 51.46 78.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t 62.65 172.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -85.4 -43.1 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.4 m -152.23 -56.64 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -58.45 122.95 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.16 -68.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.396 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.0 t -80.05 -34.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.503 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -41.86 62.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 75' ' ' VAL . 41.4 t -72.28 -21.81 20.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.372 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -55.41 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.979 0.418 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -63.71 -21.72 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.672 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 72' ' ' VAL . 9.0 p -46.48 -37.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.742 0.306 . . . . 0.0 111.595 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.79 -31.39 35.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.75 -63.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.61 41.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.302 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -130.33 173.42 5.82 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 80' ' ' THR . 36.1 Cg_exo -57.7 -160.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.478 2.119 . . . . 0.0 112.442 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -150.15 150.6 31.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -99.39 151.07 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.649 ' CB ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -98.75 151.16 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.419 0.628 . . . . 0.0 111.59 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' OE1' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -118.94 150.15 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.505 -178.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 88' ' ' THR . 18.2 tt0 -109.08 95.75 5.84 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.358 1.075 . . . . 0.0 111.401 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.938 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -114.52 94.6 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.128 -3.656 . . . . 0.0 101.128 173.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -109.17 100.91 10.0 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.956 -174.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 94' ' ' LEU . 22.7 pt -47.77 -38.18 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.932 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.3 OUTLIER -133.16 -44.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.15 -39.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -70.09 98.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.22 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.545 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 2.5 pt? -49.52 132.25 20.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HG22 ' A' ' 87' ' ' ILE . 18.3 mt -102.08 112.75 25.53 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 110.694 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.649 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -120.15 99.8 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.998 0.428 . . . . 0.0 110.691 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -109.5 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.714 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -128.33 150.45 50.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.7 p -112.2 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 82' ' ' ARG . 22.8 m -104.15 150.18 38.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -98.58 112.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.14 2.56 . . . . 0.0 112.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.34 141.12 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 133.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 m -96.66 127.47 42.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 59.45 161.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.13 -79.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.532 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.7 t -105.16 71.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.88 72.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 109' ' ' GLY . 0.9 OUTLIER -119.04 -44.86 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -82.87 -179.49 52.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.87 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -100.49 150.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.72 129.3 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -100.23 140.83 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.08 108.98 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -123.73 147.84 47.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 44.5 t0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.874 0.369 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.3 132.87 38.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.66 -146.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.73 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.59 100.09 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.246 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.33 123.11 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.11 150.08 46.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.281 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.67 150.11 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.996 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -49.99 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -67.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.47 -31.48 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.16 -140.77 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 62.45 118.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 39' ' ' LEU . 21.2 t -115.65 -56.76 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 39' ' ' LEU . 2.3 p 69.45 -61.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.423 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.8 mp -108.55 150.02 28.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.72 HG23 HE21 ' A' ' 45' ' ' GLN . 9.3 tt -136.8 145.24 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -67.68 169.82 8.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.754 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.45 -56.63 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.47 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -68.01 -29.63 68.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.23 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.72 HE21 HG23 ' A' ' 40' ' ' ILE . 16.7 mt-30 -68.21 -26.6 65.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.167 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.96 -27.4 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -57.33 12.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.52 -62.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -174.31 160.55 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.5 66.08 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -166.06 154.4 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -104.6 -164.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.49 -67.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -40.25 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.9 150.56 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 61.69 54.23 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 -172.54 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.67 99.69 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 m -87.04 -63.71 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -83.54 162.46 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.508 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.9 mt -92.3 179.57 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.6 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -173.87 149.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -109.05 68.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.22 40.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 145.17 49.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.13 83.94 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.32 -33.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.45 -31.88 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -60.35 -54.69 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.27 -28.89 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -72.87 -30.65 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.79 -51.48 40.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.42 -47.96 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 76' ' ' LEU . 12.9 mt -59.76 -34.75 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.756 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -44.91 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.27 -33.54 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.734 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 81.95 53.55 3.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.591 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.666 HG22 ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -144.48 139.73 15.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.666 ' HD2' HG22 ' A' ' 80' ' ' THR . 61.2 Cg_endo -73.07 96.42 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.439 2.093 . . . . 0.0 112.34 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.91 135.86 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 99.34 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.61 99.13 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.397 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.09 150.23 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' HG22 ' A' ' 88' ' ' THR . 3.5 tt0 -132.19 96.02 3.79 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.806 1.289 . . . . 0.0 112.064 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.95 HG22 HD12 ' A' ' 94' ' ' LEU . 2.7 mt -128.26 94.38 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 172.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.58 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -106.11 126.55 52.35 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.697 -173.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.819 HG23 HD11 ' A' ' 94' ' ' LEU . 35.5 pt -87.74 -34.39 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.06 63.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 t0 60.81 19.58 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -128.84 87.32 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.58 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -41.99 136.37 2.13 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.436 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.95 HD12 HG22 ' A' ' 87' ' ' ILE . 9.7 mt -99.73 99.61 10.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.645 0.259 . . . . 0.0 110.876 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.19 111.94 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.81 150.23 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.469 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -99.26 128.88 45.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.152 0.501 . . . . 0.0 111.721 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 112' ' ' SER . 24.9 p -147.19 99.9 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.289 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 100' ' ' PRO . 2.8 t -99.88 144.85 29.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HB2' HG21 ' A' ' 107' ' ' ILE . 51.2 Cg_endo -98.11 149.43 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.007 2.472 . . . . 0.0 112.266 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.9 144.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t 56.76 175.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -102.33 83.16 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.46 -92.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.5 132.24 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.733 HG21 ' HB2' ' A' ' 100' ' ' PRO . 29.6 mt -103.99 130.16 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.99 103.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.34 122.27 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.96 147.1 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.36 148.55 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.65 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.4 OUTLIER -118.91 142.93 47.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.0 m -128.44 100.75 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -105.78 132.0 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -143.9 99.89 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.71 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.6 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.856 0.36 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.55 -67.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.48 -146.9 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.641 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -133.55 108.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 111.078 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 111' ' ' ILE . 43.6 t -144.8 140.17 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 138.19 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.11 150.36 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -55.75 -48.77 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -93.48 -67.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 124.0 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.7 -52.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 58.83 32.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -40.94 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -118.98 118.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 45' ' ' GLN . 9.5 tt -126.61 149.92 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.7 163.5 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.32 -71.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.78 -27.14 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.459 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -56.58 -48.67 76.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.203 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CG ' HD13 ' A' ' 40' ' ' ILE . 46.3 mt-30 -60.85 -26.69 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.26 -29.21 46.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.07 -55.73 20.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -69.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -174.26 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 32.4 p90 -105.95 60.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HG2' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -101.31 -174.44 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.38 -37.19 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -113.87 -39.43 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 51' ' ' ARG . 13.9 tm0? -58.37 -39.9 80.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.955 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.761 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -83.58 -44.06 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.95 130.05 34.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.711 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.84 117.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.69 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.48 129.51 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -76.71 175.05 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.2 m -120.74 -56.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.846 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -81.56 122.27 27.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 t -176.72 152.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.28 74.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.9 156.9 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.2 73.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -81.86 -29.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.69 -34.84 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.97 -39.99 94.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.81 -30.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.4 t -61.23 -24.31 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -57.38 -33.44 67.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 82' ' ' ARG . 34.4 t -53.93 -53.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.191 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.69 -28.22 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -67.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.32 -48.2 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' A' ' 100' ' ' PRO . . . 119.17 -15.64 10.89 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.885 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.6 p -57.81 109.83 2.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 122.843 -0.21 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.03 111.38 2.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.49 2.127 . . . . 0.0 112.564 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.561 ' HG2' HG13 ' A' ' 75' ' ' VAL . 14.3 ptm180 -147.35 145.59 29.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.256 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.52 99.06 8.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 0.0 111.601 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.18 97.64 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.214 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 3.3 mt-10 -152.58 150.39 29.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.339 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 9.2 tt0 -144.5 95.75 2.76 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.882 1.325 . . . . 0.0 111.825 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -126.39 94.45 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 100.393 -3.929 . . . . 0.0 100.393 172.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.518 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.08 84.64 2.01 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.95 -174.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.717 HD12 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.15 -33.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.907 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.79 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.763 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -159.67 -41.95 0.05 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.727 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.93 105.14 6.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -42.89 142.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.158 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 20.8 mt -99.47 108.49 20.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.721 0.296 . . . . 0.0 111.145 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -113.16 104.63 12.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.11 0.481 . . . . 0.0 109.934 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -98.91 146.26 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.094 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -98.77 114.16 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.223 0.535 . . . . 0.0 111.835 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.52 100.87 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.125 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 11.4 p -99.6 143.69 26.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 107' ' ' ILE . 54.4 Cg_endo -98.48 150.17 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.243 2.629 . . . . 0.0 112.364 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -49.08 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -54.86 109.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -148.4 136.76 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.67 131.25 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -108.41 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 107' ' ' ILE . 10.1 p -58.36 159.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 100' ' ' PRO . 9.9 tt -159.54 118.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 107' ' ' ILE . 19.3 mm -138.09 151.48 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.15 143.54 2.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.6 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.62 148.3 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 29' ' ' VAL . 3.2 mp -101.66 142.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 137.67 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.9 m -133.18 130.3 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -137.12 116.77 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -149.66 100.35 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.928 0.394 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -96.27 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.4 171.54 26.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -133.85 125.72 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.32 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -149.75 105.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.07 141.3 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 110' ' ' ALA . 3.6 m -125.51 149.89 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.35 63.68 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t0 64.01 -77.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.21 72.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' HB ' ' A' ' 31' ' ' VAL . . . 108.03 111.77 3.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.64 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -84.35 -168.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.58 29.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -176.59 75.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mt -149.88 99.79 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 tt -150.13 145.35 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 146.23 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.86 -34.04 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.92 60.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.43 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -60.23 -32.5 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -69.58 -29.5 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.05 -31.51 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CG ' ' A' ' 55' ' ' ASP . 1.2 mp -77.5 -43.02 33.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t30 58.89 37.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -123.16 -69.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -167.11 165.4 15.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -104.01 30.55 5.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 m -110.27 -46.63 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -32.02 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.4 m-20 -60.47 -48.33 82.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.23 86.07 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -160.31 -176.72 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -53.97 126.49 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.37 49.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -129.03 136.65 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.14 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' A' ' 87' ' ' ILE . 74.7 mt -77.36 -49.8 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.54 151.34 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -63.86 143.21 58.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.23 117.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -81.04 68.47 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -123.53 -47.0 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.57 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 72' ' ' VAL . 22.5 t -58.54 -45.77 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.66 -29.18 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.68 -57.3 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.788 ' O ' HG12 ' A' ' 75' ' ' VAL . 10.7 p -58.09 -22.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -82.04 -22.77 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.97 -32.36 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 72' ' ' VAL . 12.4 p -63.54 -29.27 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.19 -28.4 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -28.76 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.337 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -95.13 128.02 41.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.75 62.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.2 p -56.76 123.95 61.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.09 122.45 4.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.64 2.227 . . . . 0.0 112.599 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.467 ' H ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -150.09 133.07 16.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.81 101.16 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.28 99.34 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.519 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.04 150.39 30.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.495 ' HG3' HG22 ' A' ' 88' ' ' THR . 17.7 tt0 -133.59 95.85 3.57 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.575 1.179 . . . . 0.0 111.582 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.987 HG22 HD12 ' A' ' 94' ' ' LEU . 1.5 mp -120.61 94.64 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.519 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -108.28 104.41 13.79 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.69 -0.804 . . . . 0.0 112.201 -174.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.5 -25.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.404 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -143.68 -75.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.426 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.47 20.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.816 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -124.47 88.82 2.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.324 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.519 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.1 128.84 4.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.987 HD12 HG22 ' A' ' 87' ' ' ILE . 16.6 mt -99.54 100.25 11.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.637 0.256 . . . . 0.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 95' ' ' LEU . 2.1 pp -99.68 116.23 31.31 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.4 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.329 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -98.57 104.83 16.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.409 0.623 . . . . 0.0 112.03 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 112' ' ' SER . 23.4 p -142.96 99.51 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.647 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.467 HG11 ' H ' ' A' ' 82' ' ' ARG . 18.4 m -138.58 150.98 67.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.621 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.86 ' HB2' HD11 ' A' ' 107' ' ' ILE . 67.1 Cg_endo -98.57 115.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.313 2.675 . . . . 0.0 112.258 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 101' ' ' VAL . 13.2 p -93.32 20.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.431 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -78.95 141.48 37.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 p -58.78 157.89 8.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -58.19 176.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.75 79.83 0.99 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.91 77.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 100' ' ' PRO . 3.6 tt -63.81 140.68 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.14 136.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.41 125.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -148.68 150.17 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 pt -105.56 137.12 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.605 ' HA ' HG22 ' A' ' 98' ' ' THR . 4.6 p -103.98 149.85 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -117.39 129.28 55.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -149.32 134.9 18.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -137.24 103.74 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.832 0.348 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 67.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.44 141.42 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.32 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.04 101.84 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' A' ' 114' ' ' PHE . 15.5 t -150.0 104.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.62 148.27 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 m -108.97 130.38 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.3 65.03 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.56 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.185 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -43.31 88.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 124.42 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.51 123.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 37' ' ' VAL . 19.8 t -138.45 36.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.918 HG23 HD12 ' A' ' 39' ' ' LEU . 3.1 t -78.43 -30.08 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.918 HD12 HG23 ' A' ' 38' ' ' THR . 2.0 mp -107.01 130.78 54.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 45' ' ' GLN . 15.2 tt -108.07 148.9 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.14 -176.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.32 -61.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.87 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.47 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.327 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 40' ' ' ILE . 49.6 mt-30 -78.38 -34.45 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.44 -24.29 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -61.83 2.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.39 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.61 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -174.78 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 60.83 166.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -157.44 30.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -168.56 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.31 -40.79 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -60.87 -31.05 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -113.78 -165.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 68.03 155.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 122.48 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.09 99.0 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.52 -168.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -61.52 171.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.22 -34.59 20.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.09 59.54 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.87 171.46 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 t -139.41 95.96 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.94 -27.98 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -135.94 -75.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -166.67 44.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.55 -39.32 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.244 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.37 -25.27 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.6 -42.31 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 75' ' ' VAL . 12.5 m -76.57 -26.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 m -56.61 -26.19 55.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.95 -23.23 52.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.6 p -54.92 -37.41 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.217 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.48 -31.28 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -67.83 -53.71 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.84 -74.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.91 70.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.92 101.69 3.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.544 0.211 . . . . 0.0 111.061 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.14 111.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.565 2.177 . . . . 0.0 112.704 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 145.78 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -114.74 98.5 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.638 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HG3' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -151.52 98.5 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -151.54 150.36 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.069 0.461 . . . . 0.0 111.981 -178.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 88' ' ' THR . 16.5 tt0 -146.11 95.17 2.58 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.558 1.17 . . . . 0.0 110.853 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 94' ' ' LEU . 26.0 mt -121.31 94.44 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 172.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.651 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -104.71 89.55 3.22 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.97 -174.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.11 -26.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.728 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 89' ' ' ILE . 1.1 tptp -164.18 71.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.699 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 60.71 18.85 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.95 79.43 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.05 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.651 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -47.27 125.67 8.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.201 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 87' ' ' ILE . 5.8 mt -99.22 143.84 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.0 0.429 . . . . 0.0 110.841 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -141.24 105.09 4.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -99.01 150.39 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.335 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -98.94 113.28 25.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.175 0.512 . . . . 0.0 111.874 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -135.98 99.72 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.137 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -104.1 150.52 38.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.528 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.933 ' HB2' HD11 ' A' ' 107' ' ' ILE . 61.1 Cg_endo -98.2 148.0 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.141 2.56 . . . . 0.0 112.372 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 m -52.15 131.07 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.344 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -82.78 75.04 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.4 p -83.62 164.23 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.87 -35.51 13.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 104.57 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.04 127.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.933 HD11 ' HB2' ' A' ' 100' ' ' PRO . 20.2 tt -89.9 130.1 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.6 tt -143.06 132.85 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.56 157.19 33.39 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.66 139.44 31.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.4 mt -102.55 146.69 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.221 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -112.75 147.43 36.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 m -147.1 132.5 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' A' ' 29' ' ' VAL . 6.3 p90 -142.15 118.55 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 103.71 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.688 0.28 . . . . 0.0 111.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.36 128.46 31.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.4 -150.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.384 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.86 113.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 29' ' ' VAL . 10.8 p -144.88 109.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.58 146.13 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.5 149.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.4 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.54 -72.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.56 -36.4 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.17 55.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.399 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -96.4 100.89 12.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.6 t -84.43 79.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 p -109.23 -23.04 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.318 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.87 146.77 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.424 HG23 ' NE2' ' A' ' 45' ' ' GLN . 17.8 tt -144.72 140.62 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.47 159.66 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -60.53 -42.05 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.78 48.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.3 87.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' HG23 ' A' ' 40' ' ' ILE . 28.3 mt-30 -60.65 -30.44 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -70.08 -41.21 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 47' ' ' LEU . 7.5 tp -57.68 -32.45 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.603 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 71.27 -64.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.833 0.349 . . . . 0.0 110.62 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -85.73 142.27 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.699 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -98.92 67.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -95.29 -168.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.45 16.96 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -30.07 31.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.797 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -60.82 -40.74 93.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.75 163.6 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 63.12 -163.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 68.09 140.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -92.55 170.26 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.7 p -74.63 -73.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 t -60.43 140.45 57.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -110.91 101.98 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.91 99.09 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -74.45 73.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 53.79 60.51 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -151.95 124.46 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t 61.01 173.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -106.0 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.5 m -73.02 -23.23 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.9 m -72.44 -25.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.6 -42.76 67.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 17.1 m -67.15 -23.39 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -22.15 44.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -51.03 -27.47 8.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.306 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.7 p -58.18 -27.79 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.217 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -79.57 -31.47 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -65.57 -55.13 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.24 -30.96 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.86 45.78 5.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 103.5 50.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.453 0.168 . . . . 0.0 111.049 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 122.78 12.3 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.403 2.069 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.57 149.75 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -124.13 98.82 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.027 0.441 . . . . 0.0 111.732 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.36 98.62 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.799 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -151.4 150.32 30.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.774 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG3' HG22 ' A' ' 88' ' ' THR . 7.2 tt0 -144.34 95.68 2.75 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.706 1.241 . . . . 0.0 111.395 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 94' ' ' LEU . 1.6 mp -123.38 94.79 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 100.692 -3.818 . . . . 0.0 100.692 173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -107.94 89.81 3.11 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.957 -174.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 94' ' ' LEU . 26.5 pt -50.06 -40.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.09 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 89' ' ' ILE . 3.5 mmtp -116.14 -48.34 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.973 0.416 . . . . 0.0 111.051 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -174.51 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.476 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -75.67 100.01 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.657 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.05 136.36 2.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 87' ' ' ILE . 9.9 mt -99.47 130.15 45.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.337 . . . . 0.0 110.793 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -123.32 109.31 13.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.288 179.03 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.84 150.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.139 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -98.74 133.91 42.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.298 0.571 . . . . 0.0 112.015 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.0 p -149.64 99.64 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.17 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.23 151.0 37.62 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.645 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.874 ' HB2' HD13 ' A' ' 107' ' ' ILE . 44.3 Cg_endo -97.59 109.14 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.168 2.578 . . . . 0.0 112.373 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 100' ' ' PRO . 27.1 m 47.14 -176.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.792 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -121.41 32.65 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.441 ' H ' HG23 ' A' ' 101' ' ' VAL . 37.0 t -133.31 -178.23 4.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -130.31 125.56 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 137.36 -94.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.19 120.36 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.874 HD13 ' HB2' ' A' ' 100' ' ' PRO . 37.6 mt -108.23 112.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.64 -66.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.9 162.07 14.78 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.53 138.04 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.96 137.7 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.83 143.43 44.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.4 m -109.93 134.0 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -141.21 139.5 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -148.76 119.52 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 35.06 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.37 168.88 36.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -125.73 103.51 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -149.87 107.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.59 139.01 49.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 110' ' ' ALA . 33.9 m -113.48 149.44 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.69 64.55 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.176 0.512 . . . . 0.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 52.25 26.49 4.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.343 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -151.75 -75.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 50.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -91.0 82.32 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 m -75.8 137.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t 174.51 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.83 117.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.414 HG22 ' OD1' ' A' ' 56' ' ' ASP . 17.1 tt -142.35 145.95 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.65 158.99 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -64.98 -41.9 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.15 61.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -63.2 -44.64 94.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.47 -35.73 68.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -31.89 72.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -34.55 78.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -75.44 -34.02 60.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 60.48 166.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 63.53 128.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 60.82 -172.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -65.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -71.78 -30.96 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.21 -32.88 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' OD1' HG22 ' A' ' 40' ' ' ILE . 5.1 m-20 -60.32 -72.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.49 86.22 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -80.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.504 ' C ' ' HG ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -177.11 34.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.072 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 59' ' ' LEU . 96.3 p 52.71 -86.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.353 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.7 p -152.17 85.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.765 0.316 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 87' ' ' ILE . 83.8 mt 60.48 -179.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -83.37 78.16 9.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.53 127.7 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -115.7 -178.82 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -78.43 73.49 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -115.69 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -150.51 39.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.56 -42.16 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.3 -30.97 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.87 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -79.26 -36.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -31.04 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.053 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.28 -53.01 62.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.447 HG11 ' HG2' ' A' ' 82' ' ' ARG . 51.4 t -57.83 -38.77 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -75.22 -30.83 60.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.35 -61.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.6 -32.06 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 90.32 38.84 6.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.592 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -99.71 99.37 8.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.519 0.199 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.84 104.12 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.404 2.069 . . . . 0.0 112.51 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -147.05 137.55 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.413 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -105.38 99.39 9.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.441 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.67 98.75 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.359 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 4.4 mt-10 -151.42 150.21 30.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.762 0.315 . . . . 0.0 111.21 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 3.7 tt0 -140.74 95.98 2.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.811 1.291 . . . . 0.0 112.083 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.948 HG22 HD12 ' A' ' 94' ' ' LEU . 1.1 mm -127.03 94.41 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 N-CA-C 100.224 -3.991 . . . . 0.0 100.224 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -104.36 94.08 5.15 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.142 -174.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 94' ' ' LEU . 25.0 pt -51.43 -41.23 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -115.75 -62.24 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.336 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.08 178.98 9.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.469 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER 64.11 -94.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.602 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER 172.04 -179.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 111.001 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HG22 ' A' ' 87' ' ' ILE . 70.8 mt -138.4 99.44 3.84 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.068 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 1.1 pp -99.87 114.48 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.228 0.537 . . . . 0.0 109.936 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.63 150.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.065 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -98.75 118.56 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.308 0.575 . . . . 0.0 112.076 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.5 p -150.05 99.51 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -121.44 150.05 53.69 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.637 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 107' ' ' ILE . 63.9 Cg_endo -98.87 150.02 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.288 2.659 . . . . 0.0 112.18 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.801 HG22 HD13 ' A' ' 111' ' ' ILE . 31.4 m -123.42 131.32 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -63.48 132.02 50.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 -70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -121.24 28.51 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.38 -84.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.69 135.05 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 100' ' ' PRO . 15.4 tt -96.04 111.95 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.7 mm -119.41 -60.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.33 175.73 35.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -149.87 134.51 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.801 HD13 HG22 ' A' ' 101' ' ' VAL . 3.7 mp -109.42 148.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.99 136.21 40.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -99.95 129.09 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.91 100.24 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -149.96 102.56 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.873 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.923 0.392 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.88 98.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.17 153.92 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 99.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -148.89 100.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.24 148.95 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' ALA . 2.7 m -112.81 100.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.24 75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.66 108.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.82 30.82 20.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.38 155.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 38' ' ' THR . 3.7 tp10 -101.52 -2.13 31.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.405 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.15 32.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.854 0.359 . . . . 0.0 111.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 36' ' ' GLU . 10.1 t 179.31 49.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tt -141.5 112.65 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 40' ' ' ILE . 13.6 tt -150.03 119.81 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.3 -175.82 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.028 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.29 -54.85 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' HD12 ' A' ' 47' ' ' LEU . . . -56.19 -28.54 58.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.7 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -77.94 -42.64 32.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -57.32 -25.44 59.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -56.21 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.976 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -63.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -166.18 163.7 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -115.13 114.54 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 23.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.76 -156.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -44.39 -29.69 0.72 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -50.8 -29.8 12.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.04 -56.1 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 45.69 -170.57 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.454 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.38 164.75 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -75.12 -78.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.52 101.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.8 t -63.63 171.3 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 m 65.42 125.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.53 67.31 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -83.88 166.66 17.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.43 101.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.774 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t 62.83 178.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -104.28 140.35 37.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.8 m -158.26 -63.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -176.28 45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.6 -29.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.4 m -59.47 -34.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.67 -31.68 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.46 HG11 ' NH2' ' A' ' 83' ' ' ARG . 21.5 t -78.4 -30.38 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -74.35 -30.99 62.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.2 -54.01 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.78 -44.6 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.64 -46.99 77.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -60.94 -50.99 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.16 -65.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.22 -130.83 3.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.469 0.176 . . . . 0.0 111.094 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.83 70.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.67 2.246 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 98.83 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.66 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.653 ' HB2' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -151.19 142.27 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.71 151.59 21.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.535 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -99.04 99.52 10.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.778 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 87' ' ' ILE . 1.1 tp10 -150.4 96.09 2.34 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 122.547 1.165 . . . . 0.0 111.909 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.745 HG22 HD12 ' A' ' 94' ' ' LEU . 2.0 mp -123.1 93.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.596 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 172.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -111.78 99.1 7.87 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.677 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 94' ' ' LEU . 1.6 pp -79.59 111.94 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.598 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.17 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.431 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -131.46 -29.5 1.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -44.08 -40.95 5.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.71 0.291 . . . . 0.0 111.324 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 95' ' ' LEU . 5.0 tt 61.93 129.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -140.12 150.06 43.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.197 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -131.78 106.9 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.6 mp -112.37 150.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.64 128.78 45.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.132 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -148.06 100.03 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -142.22 150.44 55.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -98.43 100.65 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.246 2.631 . . . . 0.0 112.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 102' ' ' ARG . 10.2 p -142.52 158.99 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.483 ' N ' HG22 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -170.36 178.8 3.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -7.46 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -106.26 148.94 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.14 55.38 4.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.582 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.64 163.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 107' ' ' ILE . 6.6 tp -100.8 84.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 108' ' ' ILE . 9.1 tp -126.7 126.05 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.67 -178.92 5.28 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' ' 31' ' ' VAL . . . -148.37 149.92 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -116.82 130.37 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.785 ' N ' HD13 ' A' ' 111' ' ' ILE . 19.1 p -113.42 136.19 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.4 m -107.16 125.98 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.79 145.54 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -149.7 128.15 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.3 94.27 3.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.0 mtp -87.45 -71.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.424 ' C ' HD12 ' A' ' 5' ' ' LEU . . . -176.98 128.77 1.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 4' ' ' GLY . 2.4 mp -151.06 77.43 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.839 0.352 . . . . 0.0 110.872 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -62.79 -52.37 64.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.002 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 75.4 Cg_exo -48.3 -25.77 7.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.644 2.229 . . . . 0.0 112.684 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -53.49 -26.07 19.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.197 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -80.26 -63.26 1.45 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 tp -63.06 -29.84 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 m -88.78 56.89 3.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.48 -34.11 36.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.991 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -82.07 -22.01 36.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.084 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -48.5 -51.57 26.62 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.183 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -61.68 -30.89 71.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -34.64 42.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.03 -34.94 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -75.62 -35.61 60.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.81 -47.99 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.3 -36.17 83.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -68.96 -29.73 68.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -56.95 -68.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.818 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.9 p 55.44 -171.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.421 HG22 ' HB2' ' A' ' 26' ' ' GLU . 3.7 mp -90.71 -66.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tttm 57.54 49.65 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HB2' HG22 ' A' ' 24' ' ' ILE . 10.3 tt0 -96.08 43.41 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.44 132.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.0 100.46 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.16 136.48 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.42 132.6 53.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 31' ' ' VAL . 35.4 m -123.15 112.02 32.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -55.55 107.55 0.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.283 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 59.23 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -155.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.251 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.52 38.16 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.616 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -69.47 96.82 0.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.517 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.9 m -95.21 90.53 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.1 t -133.55 12.46 4.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.4 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 tt -150.12 117.85 6.2 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.794 0.331 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.559 HD13 ' CG ' ' A' ' 45' ' ' GLN . 12.5 tt -112.39 149.32 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.86 152.19 28.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -58.64 -30.96 67.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.026 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.55 -36.6 44.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.187 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -32.96 74.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' CG ' HD13 ' A' ' 40' ' ' ILE . 68.6 mt-30 -70.61 -31.96 69.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.04 -37.26 79.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.09 -66.48 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt -67.33 -60.55 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.38 91.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -153.75 -62.78 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -142.17 166.72 23.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 ptmt -94.46 -25.72 16.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.21 -31.68 12.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -70.8 -41.08 72.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.06 -30.65 68.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -49.48 77.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -171.61 1.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.6 tttt 71.76 46.01 0.4 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.41 ' HB3' HG11 ' A' ' 37' ' ' VAL . 0.1 OUTLIER -143.37 171.24 14.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.808 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.55 94.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 17.7 m -139.29 -46.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.844 HD11 HG21 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -86.16 55.56 3.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -82.86 -25.31 32.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 64.38 121.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.0 t -101.39 146.36 27.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . 0.439 ' O ' HG13 ' A' ' 69' ' ' VAL . 9.4 t-105 -145.9 175.15 10.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.15 -58.77 3.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.71 67.47 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 66' ' ' TRP . 35.4 m -72.51 -28.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.225 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.18 -28.45 34.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.236 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -69.1 -29.71 67.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.2 t -75.7 -43.23 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.113 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -58.23 -27.71 64.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.054 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -59.1 -31.5 68.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.028 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.798 HG11 ' HD3' ' A' ' 82' ' ' ARG . 27.6 t -62.59 -47.83 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 110' ' ' ALA . 0.2 OUTLIER -75.67 -42.41 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.038 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.9 ttp85 -48.53 -47.43 39.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.901 0.382 . . . . 0.0 110.946 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.7 149.14 25.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.573 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -69.59 65.95 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.557 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.3 t -121.72 140.08 31.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 120.515 0.198 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.81 -169.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.432 2.088 . . . . 0.0 112.476 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.798 ' HD3' HG11 ' A' ' 75' ' ' VAL . 26.2 tpt180 -150.34 152.01 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.055 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.95 150.85 20.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.43 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.724 ' CB ' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.06 151.01 21.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.419 0.628 . . . . 0.0 112.029 -178.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.47 ' H ' ' HG3' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -113.36 150.57 32.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.92 -1.036 . . . . 0.0 111.112 -179.336 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.468 ' HG3' HG22 ' A' ' 88' ' ' THR . 14.4 tt0 -105.76 95.98 6.18 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 122.279 1.038 . . . . 0.0 111.794 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -114.07 94.76 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.308 0 N-CA-C 100.874 -3.75 . . . . 0.0 100.874 172.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.575 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.7 117.21 33.52 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.658 -0.817 . . . . 0.0 112.557 -174.09 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.675 HG23 HD11 ' A' ' 94' ' ' LEU . 26.2 pt -70.96 -38.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -153.88 69.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.512 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.3 t70 66.22 17.51 10.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.076 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.07 79.81 1.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.183 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.575 ' N ' ' HB ' ' A' ' 88' ' ' THR . 2.1 pt? -44.84 124.35 4.32 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.43 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 10.7 mt -102.61 121.75 43.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.244 179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.724 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER -122.14 99.85 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.932 0.396 . . . . 0.0 111.072 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.658 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -100.74 99.85 9.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.405 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.427 ' HB2' ' HG2' ' A' ' 82' ' ' ARG . 3.3 p30 -133.87 150.38 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.464 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 16.5 p -108.06 110.91 22.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.981 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 82' ' ' ARG . 18.8 m -107.92 150.69 40.65 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.307 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.558 ' HB2' HD12 ' A' ' 107' ' ' ILE . 62.9 Cg_endo -98.15 139.32 0.44 Allowed 'Trans proline' 0 N--CA 1.454 -0.806 0 C-N-CA 123.207 2.604 . . . . 0.0 112.387 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 13.0 p -58.35 139.65 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.247 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -62.11 142.06 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.4 m -157.17 -169.8 3.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.58 38.7 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.4 -132.9 3.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.66 132.74 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.106 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.558 HD12 ' HB2' ' A' ' 100' ' ' PRO . 8.8 pt -128.68 132.97 67.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.233 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 109' ' ' GLY . 30.9 mt -115.24 158.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 108' ' ' ILE . . . 73.84 163.27 8.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.329 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.469 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -144.74 149.81 36.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 111.247 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 31.6 mt -101.21 140.58 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 122.53 43.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.136 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 30.8 m -100.07 123.16 43.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.69 143.41 45.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.048 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -124.2 100.67 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.749 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.15 125.24 38.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -93.82 109.56 21.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.1 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -72.96 106.85 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 ttt 60.2 78.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.53 -160.15 17.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.402 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 74.4 mt -117.11 25.51 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.44 -59.11 1.08 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.62 -22.61 15.52 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.581 2.187 . . . . 0.0 112.627 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -57.28 -34.69 68.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -63.33 -57.72 9.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.5 mt -64.44 -64.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.8 t 62.19 66.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -69.02 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.25 -31.16 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -56.61 7.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.861 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -60.87 -34.83 75.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -63.27 -22.6 66.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -55.57 -28.07 52.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.15 -33.37 71.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.838 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.89 68.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -31.03 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -35.36 57.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -67.24 -31.44 71.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.4 t -57.49 161.84 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.001 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.15 -67.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.069 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.3 mmpt? 60.26 36.65 20.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -91.99 60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.02 -164.24 14.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.408 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.5 t -111.66 101.98 13.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 114' ' ' PHE . 35.2 t -141.32 114.33 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.86 51.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG12 HG13 ' A' ' 37' ' ' VAL . 5.7 m -115.39 131.93 66.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -73.74 76.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.2 t0 63.02 147.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.783 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -76.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.64 66.18 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.92 107.28 16.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.935 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.402 HG13 HG12 ' A' ' 31' ' ' VAL . 16.4 m -105.11 36.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 t -61.14 -31.18 70.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -114.71 111.65 21.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.6 tt -102.71 148.02 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.43 165.04 25.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.819 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -66.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.15 -28.03 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.07 -30.41 71.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -71.77 -30.84 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.07 -30.33 66.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.017 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tt -73.98 -57.63 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -69.37 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 178.0 -178.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -131.55 63.23 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 153.71 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -62.69 169.79 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.779 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t 70.71 -63.04 0.43 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' O ' HD22 ' A' ' 59' ' ' LEU . 2.9 mt-30 -50.81 -60.13 3.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -69.4 -36.64 76.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -82.26 -173.14 4.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 65.42 176.56 0.21 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -60.04 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' O ' ' A' ' 54' ' ' GLN . 3.4 mp 51.05 68.93 0.71 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 111.076 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 61' ' ' THR . 83.4 p -131.91 35.58 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 60' ' ' SER . 0.6 OUTLIER -160.35 159.61 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.507 HD11 HG21 ' A' ' 87' ' ' ILE . 2.9 mt -60.54 -40.03 90.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.794 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.59 -65.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -125.49 144.23 50.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.75 102.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -152.48 102.09 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -164.91 -52.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.44 41.26 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.35 -29.15 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.31 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.1 t -69.09 -31.06 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.281 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.2 -50.0 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.034 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.644 ' O ' HG22 ' A' ' 75' ' ' VAL . 17.4 t -58.41 -28.04 34.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.299 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.5 t -60.03 -22.05 62.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -75.83 -50.17 15.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.198 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 72' ' ' VAL . 31.2 m -59.0 -26.63 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.415 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -70.81 -53.36 15.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.967 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -60.92 -43.44 98.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.732 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -70.17 172.74 7.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.797 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.62 35.84 4.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.16 149.76 36.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.552 0.215 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.19 -171.13 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.546 2.164 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.811 ' HB2' HG12 ' A' ' 99' ' ' VAL . 8.9 tpt85 -150.14 150.66 31.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.974 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.41 150.57 22.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.65 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.588 ' HB3' HD13 ' A' ' 95' ' ' LEU . 0.5 OUTLIER -99.31 150.98 21.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.294 0.569 . . . . 0.0 111.45 -179.567 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.85 150.16 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.271 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.545 ' CG ' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.28 95.38 5.72 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 122.211 1.005 . . . . 0.0 111.425 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.926 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -111.05 94.72 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 N-CA-C 100.634 -3.839 . . . . 0.0 100.634 172.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.545 HG22 ' CG ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -110.34 112.99 25.29 Favored 'General case' 0 C--N 1.307 -1.282 0 C-N-CA 119.7 -0.8 . . . . 0.0 112.302 -174.191 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.76 HG23 HD11 ' A' ' 94' ' ' LEU . 21.3 pt -53.23 -40.07 37.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.618 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' N ' HG13 ' A' ' 89' ' ' ILE . 9.4 mmmm -121.67 -80.69 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.832 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -147.78 20.08 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.234 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 93' ' ' LEU . 29.6 mtt180 -94.6 -102.62 0.15 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.245 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 92' ' ' ARG . 0.4 OUTLIER 159.54 124.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 87' ' ' ILE . 10.0 mt -112.33 102.4 10.55 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.705 0.288 . . . . 0.0 110.644 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.8 pp -106.6 99.77 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.373 . . . . 0.0 110.949 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -100.27 99.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -150.32 150.09 30.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.286 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.706 HG23 ' O ' ' A' ' 111' ' ' ILE . 26.3 m -105.03 141.08 37.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.811 HG12 ' HB2' ' A' ' 82' ' ' ARG . 35.6 m -134.6 149.0 69.68 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.385 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HB2' HD12 ' A' ' 107' ' ' ILE . 58.7 Cg_endo -98.78 100.19 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.266 2.644 . . . . 0.0 112.349 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -143.13 -178.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.166 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.403 ' NH1' ' HB3' ' A' ' 102' ' ' ARG . 2.0 ttp-105 68.55 51.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.821 ' HB3' HG22 ' A' ' 107' ' ' ILE . 20.4 t -159.77 127.42 4.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -66.58 -49.47 66.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.8 145.27 12.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.8 t 59.41 68.12 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.011 0.434 . . . . 0.0 111.059 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.821 HG22 ' HB3' ' A' ' 103' ' ' SER . 11.7 pt -54.57 112.3 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.172 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.3 mm -87.87 -63.04 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.169 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.52 -179.24 46.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.551 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -150.04 150.06 31.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.752 0.31 . . . . 0.0 111.029 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 98' ' ' THR . 4.7 mt -99.84 130.51 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.458 ' HG ' ' HE2' ' A' ' 114' ' ' PHE . 89.8 p -99.84 132.55 45.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.58 102.92 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.458 ' HE2' ' HG ' ' A' ' 112' ' ' SER . 30.2 p90 -149.71 138.13 20.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.014 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.8 mtm105 -140.02 124.5 18.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.741 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -108.75 145.5 35.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt 57.02 34.29 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.084 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.113 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.104 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.434 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 22.1 p-80 45.88 -167.57 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.747 0.308 . . . . 0.0 111.171 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -152.12 158.34 42.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.51 -163.04 9.59 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.37 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 5' ' ' LEU . 3.2 mm? -97.73 99.83 11.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.368 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 10.3 mt-10 -63.31 -45.08 84.6 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.303 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 87.2 Cg_exo -47.42 -28.94 9.2 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.417 2.078 . . . . 0.0 112.582 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -81.96 -35.31 29.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -82.3 -41.99 19.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.42 ' CG2' ' HA ' ' A' ' 7' ' ' PRO . 7.5 tt -57.44 -29.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -126.27 57.81 1.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 t -65.6 -30.5 71.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.485 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.74 -30.49 71.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.967 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -57.56 -55.45 34.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.972 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -29.0 69.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -59.55 -23.6 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.1 mmm-85 -55.4 -31.43 61.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -60.03 -29.16 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.63 -61.29 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.01 -30.82 68.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.67 -33.31 74.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -58.22 9.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t 62.74 54.82 2.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.529 HG22 ' HB2' ' A' ' 26' ' ' GLU . 44.7 mt 68.25 -68.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.261 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.33 28.5 17.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 110.623 -179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB2' HG22 ' A' ' 24' ' ' ILE . 2.7 mm-40 -78.69 81.75 4.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.008 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.51 120.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.555 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.2 t -100.33 99.91 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.4 t -142.16 128.29 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.22 119.9 39.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.4 m -103.72 150.22 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.247 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -93.89 107.96 19.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.4 t70 64.73 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.14 -82.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.945 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.44 -86.81 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.446 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 38' ' ' THR . 1.5 tp10 69.36 -65.81 0.28 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 67.45 27.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.2 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.46 HG23 ' CG ' ' A' ' 36' ' ' GLU . 68.1 p -65.58 -26.88 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -112.69 109.22 18.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 tt -123.6 143.9 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -83.12 166.39 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.26 -30.96 70.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.802 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.3 -38.04 89.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.95 -31.14 31.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -68.23 -54.41 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.29 -38.69 87.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.076 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.71 -59.06 6.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.2 -72.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.945 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.19 155.62 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -70.34 -81.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.783 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 48.3 -166.95 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.211 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.96 34.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.808 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 m -150.13 -61.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -30.97 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -73.41 -44.21 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -80.76 -69.36 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.98 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -94.01 127.26 39.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -145.64 160.14 42.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.87 -44.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.6 m 60.87 35.39 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.84 140.36 9.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.517 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.8 mt -115.61 -64.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.7 m -122.79 19.15 10.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 51.46 78.41 0.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.814 0.34 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t 62.65 172.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.778 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -85.4 -43.1 13.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.767 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.4 m -152.23 -56.64 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -58.45 122.95 14.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.16 -68.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.396 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 23.0 t -80.05 -34.57 15.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.503 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.86 -41.86 62.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.693 ' O ' HG12 ' A' ' 75' ' ' VAL . 41.4 t -72.28 -21.81 20.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.372 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.18 -55.41 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.979 0.418 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -63.71 -21.72 66.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.672 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 72' ' ' VAL . 9.0 p -46.48 -37.68 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.742 0.306 . . . . 0.0 111.595 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.79 -31.39 35.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -57.75 -63.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 123.61 41.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.302 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -130.33 173.42 5.82 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.554 0.216 . . . . 0.0 110.997 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' A' ' 80' ' ' THR . 36.1 Cg_exo -57.7 -160.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.478 2.119 . . . . 0.0 112.442 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HB2' HG12 ' A' ' 99' ' ' VAL . 0.7 OUTLIER -150.15 150.6 31.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.262 -179.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.1 mtt-85 -99.39 151.07 21.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.573 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.649 ' CB ' HD13 ' A' ' 95' ' ' LEU . 1.0 OUTLIER -98.75 151.16 21.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.419 0.628 . . . . 0.0 111.59 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' OE1' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -118.94 150.15 40.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.505 -178.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' HG3' HG22 ' A' ' 88' ' ' THR . 18.2 tt0 -109.08 95.75 5.84 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 122.358 1.075 . . . . 0.0 111.401 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.938 HG22 HD12 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -114.52 94.6 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.128 -3.656 . . . . 0.0 101.128 173.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.545 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -109.17 100.91 10.0 Favored 'General case' 0 C--N 1.309 -1.154 0 C-N-CA 119.792 -0.763 . . . . 0.0 111.956 -174.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.607 HG23 HD11 ' A' ' 94' ' ' LEU . 22.7 pt -47.77 -38.18 6.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.932 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.3 OUTLIER -133.16 -44.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 111.211 -179.765 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -164.15 -39.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.071 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -70.09 98.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.22 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.545 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 2.5 pt? -49.52 132.25 20.98 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.803 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.938 HD12 HG22 ' A' ' 87' ' ' ILE . 18.3 mt -102.08 112.75 25.53 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.766 0.317 . . . . 0.0 110.694 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.649 HD13 ' CB ' ' A' ' 84' ' ' ASP . 0.2 OUTLIER -120.15 99.8 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.998 0.428 . . . . 0.0 110.691 179.481 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.657 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.2 mp -109.5 100.04 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.714 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -128.33 150.45 50.07 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.414 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.7 p -112.2 125.61 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.569 HG12 ' HB2' ' A' ' 82' ' ' ARG . 22.8 m -104.15 150.18 38.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.238 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -98.58 112.49 0.09 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.14 2.56 . . . . 0.0 112.465 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.34 141.12 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.88 133.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.8 m -96.66 127.47 42.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.996 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.7 t30 59.45 161.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.13 -79.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.532 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 18.7 t -105.16 71.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 111.041 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.608 HG23 ' O ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -126.88 72.51 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.042 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 109' ' ' GLY . 0.9 OUTLIER -119.04 -44.86 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.48 ' N ' HG23 ' A' ' 108' ' ' ILE . . . -82.87 -179.49 52.71 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.01 142.87 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 111.133 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 20.5 mm -100.49 150.21 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.72 129.3 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.94 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -100.23 140.83 33.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.08 108.98 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -123.73 147.84 47.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -146.53 138.2 24.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.13 168.75 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.759 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.168 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -151.37 113.62 4.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.913 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -154.41 85.3 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.54 -61.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mt 58.85 58.15 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -61.62 -52.16 71.47 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.998 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 74.0 Cg_exo -49.25 -25.43 9.73 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.618 2.212 . . . . 0.0 112.544 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -53.89 -58.0 8.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.093 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -69.39 -35.18 75.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.4 mm -58.09 -21.95 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -49.79 121.25 5.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.917 0.389 . . . . 0.0 111.194 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.2 p -74.9 -28.89 60.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.263 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -41.69 75.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.08 -28.53 54.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.84 -29.32 64.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.981 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.9 -46.61 87.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.852 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mmt-85 -67.15 -42.11 84.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -62.8 -31.52 72.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.66 -21.98 43.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.355 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 tmm? -51.65 -32.04 27.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.134 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.43 -29.31 70.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -57.57 -26.2 61.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.96 147.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.595 HG22 ' HB2' ' A' ' 26' ' ' GLU . 4.2 mt -69.96 -44.12 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.16 30.12 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HB2' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -135.3 132.87 38.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.66 -146.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.73 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 t -112.59 100.09 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 111.246 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.6 t -115.33 123.11 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.11 150.08 46.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.281 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.67 150.11 30.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.996 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -49.99 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.138 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -124.58 -67.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.822 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.47 -31.48 10.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.807 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.16 -140.77 3.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.449 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 62.45 118.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 39' ' ' LEU . 21.2 t -115.65 -56.76 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.424 ' OG1' ' N ' ' A' ' 39' ' ' LEU . 2.3 p 69.45 -61.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.423 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.8 mp -108.55 150.02 28.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.816 0.341 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.72 HG23 HE21 ' A' ' 45' ' ' GLN . 9.3 tt -136.8 145.24 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -67.68 169.82 8.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.754 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.45 -56.63 6.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.72 -29.47 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.286 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -68.01 -29.63 68.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.23 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.72 HE21 HG23 ' A' ' 40' ' ' ILE . 16.7 mt-30 -68.21 -26.6 65.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.167 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -55.96 -27.4 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.101 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.28 -57.33 12.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.951 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 tp -79.52 -62.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -174.31 160.55 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.5 66.08 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -166.06 154.4 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -104.6 -164.54 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 69.49 -67.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -60.98 -33.04 72.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.47 -40.25 95.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -65.9 150.56 48.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 61.69 54.23 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.78 -172.54 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.67 99.69 10.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.7 m -87.04 -63.71 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.0 p -83.54 162.46 20.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.508 ' CD1' HG21 ' A' ' 87' ' ' ILE . 12.9 mt -92.3 179.57 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.6 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -173.87 149.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.6 t -109.05 68.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -166.22 40.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.39 145.17 49.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -81.13 83.94 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.32 -33.42 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.076 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.45 -31.88 50.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -60.35 -54.69 42.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 m -70.27 -28.89 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -72.87 -30.65 64.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -68.79 -51.48 40.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.42 -47.96 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 76' ' ' LEU . 12.9 mt -59.76 -34.75 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.756 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -44.91 27.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.89 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.27 -33.54 73.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.734 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.415 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 81.95 53.55 3.69 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.591 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.666 HG22 ' HD2' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -144.48 139.73 15.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 120.508 0.194 . . . . 0.0 110.937 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.666 ' HD2' HG22 ' A' ' 80' ' ' THR . 61.2 Cg_endo -73.07 96.42 0.87 Allowed 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.439 2.093 . . . . 0.0 112.34 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.91 135.86 43.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.79 99.34 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 111.012 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -150.61 99.13 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.397 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.09 150.23 30.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.089 -179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.575 ' HG3' HG22 ' A' ' 88' ' ' THR . 3.5 tt0 -132.19 96.02 3.79 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-O 122.806 1.289 . . . . 0.0 112.064 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.95 HG22 HD12 ' A' ' 94' ' ' LEU . 2.7 mt -128.26 94.38 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 1 N-CA-C 99.965 -4.087 . . . . 0.0 99.965 172.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.58 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -106.11 126.55 52.35 Favored 'General case' 0 C--N 1.309 -1.169 0 C-N-CA 119.723 -0.791 . . . . 0.0 112.697 -173.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.819 HG23 HD11 ' A' ' 94' ' ' LEU . 35.5 pt -87.74 -34.39 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.06 63.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.691 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 t0 60.81 19.58 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.047 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.3 mtp85 -128.84 87.32 2.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.58 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER -41.99 136.37 2.13 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.436 -179.4 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.95 HD12 HG22 ' A' ' 87' ' ' ILE . 9.7 mt -99.73 99.61 10.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.645 0.259 . . . . 0.0 110.876 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.19 111.94 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.624 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.81 150.23 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.469 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -99.26 128.88 45.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.152 0.501 . . . . 0.0 111.721 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.65 HG22 ' HA ' ' A' ' 112' ' ' SER . 24.9 p -147.19 99.9 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.289 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.55 HG12 ' HD2' ' A' ' 100' ' ' PRO . 2.8 t -99.88 144.85 29.14 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.236 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HB2' HG21 ' A' ' 107' ' ' ILE . 51.2 Cg_endo -98.11 149.43 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 123.007 2.472 . . . . 0.0 112.266 179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 t -52.9 144.87 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -79.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.0 t 56.76 175.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -102.33 83.16 2.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.46 -92.89 1.66 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.531 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.5 132.24 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 111.151 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.733 HG21 ' HB2' ' A' ' 100' ' ' PRO . 29.6 mt -103.99 130.16 55.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 pt -119.99 103.2 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.044 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.34 122.27 4.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.315 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -111.96 147.1 36.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 0.0 111.235 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.4 mp -105.36 148.55 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.65 ' HA ' HG22 ' A' ' 98' ' ' THR . 0.4 OUTLIER -118.91 142.93 47.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.0 m -128.44 100.75 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -105.78 132.0 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -143.9 99.89 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.71 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.6 p30 -102.49 131.57 49.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt 58.89 43.27 18.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.265 -0.874 . . . . 0.0 111.091 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 63.95 30.58 14.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ptm -142.73 166.38 24.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.29 129.13 9.71 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.689 HD23 ' HB2' ' A' ' 8' ' ' TYR . 2.7 tp -115.81 124.14 49.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -81.36 -52.71 0.8 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 51.1 Cg_exo -55.36 -47.3 26.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.407 2.072 . . . . 0.0 112.157 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.689 ' HB2' HD23 ' A' ' 5' ' ' LEU . 31.0 t80 -63.74 -34.97 79.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.33 -42.99 96.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.7 mt -68.19 -22.6 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.187 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.7 p -97.39 30.7 2.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.045 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 p -82.12 -45.19 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.069 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 14' ' ' PHE . 4.6 pp -74.89 -30.19 61.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.962 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.551 ' N ' HD12 ' A' ' 13' ' ' LEU . 1.5 m-85 -68.33 -33.91 75.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.56 -33.5 76.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.75 -41.18 99.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.755 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -78.67 -26.19 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -57.28 -43.47 83.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.7 -30.69 41.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.186 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.1 mtt -68.97 -23.52 64.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.232 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -37.62 75.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -69.06 -61.83 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.28 111.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 42.3 mm 60.09 110.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.6 mtmm -103.7 34.62 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.55 -67.56 0.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -156.48 -146.9 4.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.564 -0.827 . . . . 0.0 112.641 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 44' ' ' ALA . 0.0 OUTLIER -133.55 108.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.357 . . . . 0.0 111.078 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 111' ' ' ILE . 43.6 t -144.8 140.17 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.14 138.19 38.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.5 m -140.11 150.36 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.11 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.762 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -55.75 -48.77 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.3 tpt180 -93.48 -67.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.63 124.0 0.7 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.7 -52.74 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.839 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 37' ' ' VAL . 13.7 t 58.83 32.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.039 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.49 -40.94 33.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 mt -118.98 118.31 31.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.002 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.529 HD13 ' CG ' ' A' ' 45' ' ' GLN . 9.5 tt -126.61 149.92 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -61.7 163.5 7.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.824 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.32 -71.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -55.78 -27.14 49.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.459 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.552 ' HB2' HG23 ' A' ' 28' ' ' VAL . . . -56.58 -48.67 76.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.203 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CG ' HD13 ' A' ' 40' ' ' ILE . 46.3 mt-30 -60.85 -26.69 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -54.26 -29.21 46.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.07 -55.73 20.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.36 -69.64 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -174.26 -176.31 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 32.4 p90 -105.95 60.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.41 ' HG2' ' HB2' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -101.31 -174.44 2.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -119.38 -37.19 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 m -113.87 -39.43 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.121 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 51' ' ' ARG . 13.9 tm0? -58.37 -39.9 80.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.955 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.51 -32.02 73.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.761 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -83.58 -44.06 15.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.95 130.05 34.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.711 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.84 117.9 1.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.69 95.44 3.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.88 -36.71 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.48 129.51 53.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.058 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.3 mt -76.71 175.05 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.2 m -120.74 -56.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.846 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -81.56 122.27 27.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 t -176.72 152.15 0.96 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -121.28 74.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.9 156.9 7.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.722 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.2 73.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -81.86 -29.41 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.99 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -59.69 -34.84 56.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.97 -39.99 94.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.81 -30.21 42.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.4 t -61.23 -24.31 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.182 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -57.38 -33.44 67.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.561 HG13 ' HG2' ' A' ' 82' ' ' ARG . 34.4 t -53.93 -53.96 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.191 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.69 -28.22 68.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -67.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.32 -48.2 82.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' A' ' 100' ' ' PRO . . . 119.17 -15.64 10.89 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.885 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.6 p -57.81 109.83 2.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 O-C-N 122.843 -0.21 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.03 111.38 2.65 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.49 2.127 . . . . 0.0 112.564 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.561 ' HG2' HG13 ' A' ' 75' ' ' VAL . 14.3 ptm180 -147.35 145.59 29.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.256 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -106.52 99.06 8.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.099 0.476 . . . . 0.0 111.601 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -151.18 97.64 2.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.214 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 3.3 mt-10 -152.58 150.39 29.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.339 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 9.2 tt0 -144.5 95.75 2.76 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 122.882 1.325 . . . . 0.0 111.825 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.936 HG22 HD12 ' A' ' 94' ' ' LEU . 1.4 mt -126.39 94.45 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.62 0 N-CA-C 100.393 -3.929 . . . . 0.0 100.393 172.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.518 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -107.08 84.64 2.01 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.95 -174.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.717 HD12 HD11 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -45.15 -33.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.907 -179.654 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.79 -63.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.763 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -159.67 -41.95 0.05 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.727 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.93 105.14 6.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.58 ' H ' HD23 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -42.89 142.12 0.97 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.158 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.936 HD12 HG22 ' A' ' 87' ' ' ILE . 20.8 mt -99.47 108.49 20.95 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.721 0.296 . . . . 0.0 111.145 179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 0.3 OUTLIER -113.16 104.63 12.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.11 0.481 . . . . 0.0 109.934 178.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.665 ' N ' HD12 ' A' ' 96' ' ' ILE . 2.7 mp -98.91 146.26 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.094 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -98.77 114.16 26.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.223 0.535 . . . . 0.0 111.835 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.52 100.87 4.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.125 179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 11.4 p -99.6 143.69 26.91 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.532 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.748 ' HB2' HD11 ' A' ' 107' ' ' ILE . 54.4 Cg_endo -98.48 150.17 0.7 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 123.243 2.629 . . . . 0.0 112.364 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -49.08 98.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -54.86 109.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 t -148.4 136.76 21.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.753 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -58.67 131.25 50.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 74.98 -108.41 2.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 107' ' ' ILE . 10.1 p -58.36 159.64 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.748 HD11 ' HB2' ' A' ' 100' ' ' PRO . 9.9 tt -159.54 118.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.074 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 107' ' ' ILE . 19.3 mm -138.09 151.48 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 78.15 143.54 2.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.6 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -149.62 148.3 29.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 29' ' ' VAL . 3.2 mp -101.66 142.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.03 137.67 38.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 26.9 m -133.18 130.3 38.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.042 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -137.12 116.77 12.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -149.66 100.35 2.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -116.01 121.86 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -177.23 159.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.334 -0.841 . . . . 0.0 111.079 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -48.3 16.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.2 mtp -65.22 -53.73 40.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.53 84.67 1.59 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.13 36.75 3.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.754 0.311 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' CB ' ' HD3' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.45 -52.9 10.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD3' ' CB ' ' A' ' 6' ' ' GLU . 52.1 Cg_exo -54.4 -29.53 59.06 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.422 2.081 . . . . 0.0 112.171 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -74.45 -31.3 62.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.06 -21.87 66.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.305 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.8 mm -54.02 -72.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.377 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 175.49 44.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.6 p -81.49 -46.57 14.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.53 -37.2 28.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.957 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.57 -29.98 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -80.22 -29.75 38.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.054 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -80.73 -29.01 36.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.045 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -45.92 29.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -22.49 65.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.69 -35.86 61.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.379 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -78.8 -29.4 44.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.96 -24.36 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.174 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -55.21 -72.19 0.07 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.794 0.33 . . . . 0.0 111.099 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.68 -168.72 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.12 118.16 27.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.989 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -89.33 52.97 2.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -96.27 42.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.827 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.4 171.54 26.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.3 t -133.85 125.72 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.32 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 t -149.75 105.26 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.07 141.3 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 110' ' ' ALA . 3.6 m -125.51 149.89 30.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.35 63.68 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.938 0.399 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.5 t0 64.01 -77.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.21 72.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.087 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.405 ' HA2' ' HB ' ' A' ' 31' ' ' VAL . . . 108.03 111.77 3.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.64 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -84.35 -168.0 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 110.797 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.58 29.44 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.8 t -176.59 75.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mt -149.88 99.79 2.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.784 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 tt -150.13 145.35 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.37 146.23 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -58.86 -34.04 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.804 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.92 60.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.987 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.86 -38.43 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.068 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -60.23 -32.5 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.782 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -69.58 -29.5 67.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -58.05 -31.51 67.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD22 ' CG ' ' A' ' 55' ' ' ASP . 1.2 mp -77.5 -43.02 33.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.726 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.9 t30 58.89 37.9 24.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -123.16 -69.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -167.11 165.4 15.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.974 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -104.01 30.55 5.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.8 m -110.27 -46.63 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.89 -32.02 51.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' CG ' HD22 ' A' ' 48' ' ' LEU . 1.4 m-20 -60.47 -48.33 82.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.23 86.07 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -160.31 -176.72 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -53.97 126.49 22.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.086 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mt -143.37 49.82 1.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 p -129.03 136.65 50.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.789 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.14 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.56 ' CD1' HG21 ' A' ' 87' ' ' ILE . 74.7 mt -77.36 -49.8 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.54 151.34 16.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 m80 -63.86 143.21 58.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.23 117.4 1.01 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -81.04 68.47 7.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.9 t -123.53 -47.0 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -171.57 50.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 72' ' ' VAL . 22.5 t -58.54 -45.77 90.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.9 m -57.66 -29.18 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -65.68 -57.3 8.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.994 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.788 ' O ' HG12 ' A' ' 75' ' ' VAL . 10.7 p -58.09 -22.26 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.346 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.2 m -82.04 -22.77 36.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -71.97 -32.36 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.124 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.788 HG12 ' O ' ' A' ' 72' ' ' VAL . 12.4 p -63.54 -29.27 46.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.19 -28.4 32.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -28.76 49.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.337 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -95.13 128.02 41.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.03 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.75 62.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.655 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.2 p -56.76 123.95 61.04 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 120.528 0.204 . . . . 0.0 111.161 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -81.09 122.45 4.24 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.64 2.227 . . . . 0.0 112.599 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.467 ' H ' HG11 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -150.09 133.07 16.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.678 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.81 101.16 9.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.977 0.418 . . . . 0.0 111.153 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -150.28 99.34 2.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.519 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.04 150.39 30.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.495 ' HG3' HG22 ' A' ' 88' ' ' THR . 17.7 tt0 -133.59 95.85 3.57 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.575 1.179 . . . . 0.0 111.582 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.987 HG22 HD12 ' A' ' 94' ' ' LEU . 1.5 mp -120.61 94.64 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 100.868 -3.753 . . . . 0.0 100.868 173.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.519 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -108.28 104.41 13.79 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.69 -0.804 . . . . 0.0 112.201 -174.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.685 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.5 -25.76 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.404 -179.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -143.68 -75.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.426 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.47 20.08 1.35 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.816 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -124.47 88.82 2.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.324 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.519 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.1 128.84 4.56 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.987 HD12 HG22 ' A' ' 87' ' ' ILE . 16.6 mt -99.54 100.25 11.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.637 0.256 . . . . 0.0 111.306 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.518 ' O ' HD12 ' A' ' 95' ' ' LEU . 2.1 pp -99.68 116.23 31.31 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.591 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.4 150.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.329 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -98.57 104.83 16.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.409 0.623 . . . . 0.0 112.03 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 112' ' ' SER . 23.4 p -142.96 99.51 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.113 -0.948 . . . . 0.0 109.647 178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.467 HG11 ' H ' ' A' ' 82' ' ' ARG . 18.4 m -138.58 150.98 67.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.621 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.86 ' HB2' HD11 ' A' ' 107' ' ' ILE . 67.1 Cg_endo -98.57 115.17 0.1 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.313 2.675 . . . . 0.0 112.258 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 101' ' ' VAL . 13.2 p -93.32 20.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.431 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -78.95 141.48 37.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.765 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 71.3 p -58.78 157.89 8.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -58.19 176.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.75 79.83 0.99 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.359 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.4 t 64.91 77.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 111.057 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.86 HD11 ' HB2' ' A' ' 100' ' ' PRO . 3.6 tt -63.81 140.68 19.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.021 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.4 tp -164.14 136.23 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 86.41 125.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.409 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.49 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -148.68 150.17 32.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.715 0.293 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 22.0 pt -105.56 137.12 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.605 ' HA ' HG22 ' A' ' 98' ' ' THR . 4.6 p -103.98 149.85 24.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 m -117.39 129.28 55.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -149.32 134.9 18.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -137.24 103.74 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.89 148.11 50.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -146.22 179.8 7.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.963 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.044 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -99.4 85.21 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.9 ptm -116.45 171.15 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.69 61.11 0.22 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.437 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.44 111.39 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.1 OUTLIER -70.27 -53.06 11.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.077 -179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 77.4 Cg_exo -49.83 -29.8 21.57 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.51 2.14 . . . . 0.0 112.418 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -78.54 -29.87 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -30.53 64.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.4 mt -77.37 -64.39 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -145.16 115.63 7.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 p -74.45 -23.14 58.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.37 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 13' ' ' LEU . 2.5 mm? -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.349 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.6 -56.48 15.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -71.84 -25.82 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.115 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -56.05 -44.17 78.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -32.13 69.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.758 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -82.01 -55.33 4.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.59 69.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.984 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -23.13 60.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tp -51.79 -59.52 4.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.988 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.8 -54.04 32.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.651 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.439 ' O ' HD12 ' A' ' 24' ' ' ILE . 5.0 p 49.71 69.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.159 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 23' ' ' SER . 2.1 mt 82.26 -48.43 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.54 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt 71.13 27.41 3.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.832 0.348 . . . . 0.0 110.735 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.45 67.41 1.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.44 141.42 0.19 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.32 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.4 t -106.04 101.84 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.414 HG21 ' CE1' ' A' ' 114' ' ' PHE . 15.5 t -150.0 104.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.62 148.27 44.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.211 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.9 m -108.97 130.38 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.3 65.03 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.56 -75.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.185 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -43.31 88.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.68 124.42 3.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.44 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -164.51 123.54 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 37' ' ' VAL . 19.8 t -138.45 36.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.063 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.918 HG23 HD12 ' A' ' 39' ' ' LEU . 3.1 t -78.43 -30.08 47.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.918 HD12 HG23 ' A' ' 38' ' ' THR . 2.0 mp -107.01 130.78 54.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.694 HD13 ' HG2' ' A' ' 45' ' ' GLN . 15.2 tt -108.07 148.9 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -64.14 -176.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -80.32 -61.66 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.42 -27.87 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.27 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.47 63.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.327 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.694 ' HG2' HD13 ' A' ' 40' ' ' ILE . 49.6 mt-30 -78.38 -34.45 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.977 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.44 -24.29 53.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -61.83 2.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.0 mp -74.39 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.803 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -177.61 -58.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -174.78 -48.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 60.83 166.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -157.44 30.66 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -168.56 -55.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.979 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -58.31 -40.79 82.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -60.87 -31.05 70.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.976 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -113.78 -165.19 0.98 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 68.03 155.59 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 122.48 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.6 mp -147.09 99.0 3.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.52 -168.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.3 p -61.52 171.26 1.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.3 mt -86.22 -34.59 20.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.972 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.09 59.54 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.869 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -121.87 171.46 8.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 t -139.41 95.96 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.98 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.94 -27.98 9.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.1 t -135.94 -75.32 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -166.67 44.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.813 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -80.55 -39.32 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.244 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.37 -25.27 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.224 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.6 -42.31 58.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.071 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.682 ' O ' HG12 ' A' ' 75' ' ' VAL . 12.5 m -76.57 -26.62 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.357 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.9 m -56.61 -26.19 55.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.202 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -57.95 -23.23 52.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.287 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.6 p -54.92 -37.41 41.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 111.217 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.48 -31.28 72.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -67.83 -53.71 24.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -60.84 -74.4 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.996 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 135.91 70.01 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.452 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.92 101.69 3.41 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.544 0.211 . . . . 0.0 111.061 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.14 111.24 0.57 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.565 2.177 . . . . 0.0 112.704 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.07 145.78 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.368 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -114.74 98.5 6.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.966 0.412 . . . . 0.0 111.638 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HG3' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -151.52 98.5 2.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' HG3' ' C ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -151.54 150.36 30.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.069 0.461 . . . . 0.0 111.981 -178.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HG3' HG22 ' A' ' 88' ' ' THR . 16.5 tt0 -146.11 95.17 2.58 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 122.558 1.17 . . . . 0.0 110.853 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.904 HG22 HD12 ' A' ' 94' ' ' LEU . 26.0 mt -121.31 94.44 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 100.653 -3.832 . . . . 0.0 100.653 172.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.651 ' HB ' ' N ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -104.71 89.55 3.22 Favored 'General case' 0 C--N 1.308 -1.238 0 C-N-CA 119.842 -0.743 . . . . 0.0 111.97 -174.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.635 HG23 HD11 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -51.11 -26.53 4.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.728 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' N ' HG13 ' A' ' 89' ' ' ILE . 1.1 tptp -164.18 71.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.991 0.424 . . . . 0.0 110.699 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 60.71 18.85 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.01 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.95 79.43 1.78 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.05 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.651 ' N ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -47.27 125.67 8.29 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 -179.201 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 87' ' ' ILE . 5.8 mt -99.22 143.84 29.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.0 0.429 . . . . 0.0 110.841 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -141.24 105.09 4.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.237 179.247 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.67 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -99.01 150.39 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.335 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -98.94 113.28 25.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.175 0.512 . . . . 0.0 111.874 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.3 p -135.98 99.72 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.137 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 m -104.1 150.52 38.41 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.528 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.933 ' HB2' HD11 ' A' ' 107' ' ' ILE . 61.1 Cg_endo -98.2 148.0 0.7 Allowed 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.141 2.56 . . . . 0.0 112.372 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.9 m -52.15 131.07 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.344 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -82.78 75.04 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 83.4 p -83.62 164.23 19.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.785 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.87 -35.51 13.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -119.58 104.57 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.531 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.3 t 64.04 127.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 111.216 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.933 HD11 ' HB2' ' A' ' 100' ' ' PRO . 20.2 tt -89.9 130.1 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.6 tt -143.06 132.85 21.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.16 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 92.56 157.19 33.39 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.499 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -142.66 139.44 31.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 27.4 mt -102.55 146.69 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.221 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.9 t -112.75 147.43 36.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 23.8 m -147.1 132.5 18.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.06 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.414 ' CE1' HG21 ' A' ' 29' ' ' VAL . 6.3 p90 -142.15 118.55 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.46 103.71 3.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -122.13 130.63 53.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.75 36.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.129 179.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -169.91 37.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.2 -35.15 5.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.8 78.71 1.03 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.526 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.65 35.16 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 0.3 OUTLIER -61.88 -60.41 10.34 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.147 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 6' ' ' GLU . 40.9 Cg_endo -67.16 -45.93 3.47 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.533 2.155 . . . . 0.0 112.648 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -36.17 73.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.029 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -59.98 -35.19 74.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.7 mm -70.95 -66.45 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.02 85.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.2 m -77.01 -32.23 56.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -31.14 70.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.12 -30.89 63.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.91 -49.68 75.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.8 -31.98 73.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.5 ttp85 -72.65 -40.82 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -74.34 -30.18 61.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.24 -27.74 23.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.478 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 ttt -58.37 -21.94 51.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.294 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 21' ' ' LEU . 4.0 pp -52.93 -26.63 15.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.353 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.45 ' N ' HD12 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -59.32 -30.05 68.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.987 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.0 m -65.03 110.46 2.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.082 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 tt -150.05 141.43 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -21.15 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.367 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.36 128.46 31.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.119 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.4 -150.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.384 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.9 t -142.86 113.78 2.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.821 0.343 . . . . 0.0 111.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 29' ' ' VAL . 10.8 p -144.88 109.05 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.58 146.13 35.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 m -112.5 149.78 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -58.4 -78.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.063 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -140.54 -72.8 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -61.56 -36.4 80.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.17 55.47 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.399 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -96.4 100.89 12.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.34 . . . . 0.0 110.963 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 26.6 t -84.43 79.17 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 p -109.23 -23.04 11.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.318 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.87 146.77 26.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.424 HG23 ' NE2' ' A' ' 45' ' ' GLN . 17.8 tt -144.72 140.62 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.47 159.66 34.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -60.53 -42.05 95.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.78 48.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.54 -42.3 87.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' HG23 ' A' ' 40' ' ' ILE . 28.3 mt-30 -60.65 -30.44 69.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -70.08 -41.21 74.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 47' ' ' LEU . 7.5 tp -57.68 -32.45 67.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.79 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.53 -21.93 61.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.143 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.603 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER 71.27 -64.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.833 0.349 . . . . 0.0 110.62 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' CE1' ' HE2' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -85.73 142.27 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.699 179.774 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -98.92 67.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HE2' ' CE1' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -95.29 -168.44 1.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.45 16.96 12.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.0 -30.07 31.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.797 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -60.82 -40.74 93.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -93.75 163.6 13.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 63.12 -163.53 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.755 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? 68.09 140.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -92.55 170.26 9.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.7 p -74.63 -73.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.008 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 9.5 t -60.43 140.45 57.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -110.91 101.98 10.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 t -140.91 99.09 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -74.45 73.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 t 53.79 60.51 3.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.126 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -151.95 124.46 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.8 t 61.01 173.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -106.0 85.08 2.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 72' ' ' VAL . 6.5 m -73.02 -23.23 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.9 m -72.44 -25.17 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.821 0.343 . . . . 0.0 111.333 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -71.6 -42.76 67.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 75' ' ' VAL . 17.1 m -67.15 -23.39 30.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.343 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.65 -22.15 44.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -51.03 -27.47 8.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.306 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' O ' ' A' ' 72' ' ' VAL . 10.7 p -58.18 -27.79 33.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.217 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.5 mt -79.57 -31.47 41.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.707 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpp_? -65.57 -55.13 19.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.24 -30.96 70.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.86 45.78 5.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.9 103.5 50.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.453 0.168 . . . . 0.0 111.049 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.95 122.78 12.3 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.403 2.069 . . . . 0.0 112.374 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.57 149.75 31.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.461 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -124.13 98.82 5.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.027 0.441 . . . . 0.0 111.732 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.36 98.62 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.799 178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -151.4 150.32 30.32 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.774 -178.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.556 ' HG3' HG22 ' A' ' 88' ' ' THR . 7.2 tt0 -144.34 95.68 2.75 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 122.706 1.241 . . . . 0.0 111.395 179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 94' ' ' LEU . 1.6 mp -123.38 94.79 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 N-CA-C 100.692 -3.818 . . . . 0.0 100.692 173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.556 HG22 ' HG3' ' A' ' 86' ' ' GLU . 0.3 OUTLIER -107.94 89.81 3.11 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.957 -174.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 94' ' ' LEU . 26.5 pt -50.06 -40.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.09 -179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.413 ' N ' HG13 ' A' ' 89' ' ' ILE . 3.5 mmtp -116.14 -48.34 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.973 0.416 . . . . 0.0 111.051 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -174.51 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.476 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.446 ' NH1' ' HA ' ' A' ' 92' ' ' ARG . 0.1 OUTLIER -75.67 100.01 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.657 179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.496 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.3 OUTLIER -43.05 136.36 2.83 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.953 HD12 HG22 ' A' ' 87' ' ' ILE . 9.9 mt -99.47 130.15 45.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.809 0.337 . . . . 0.0 110.793 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 95' ' ' LEU . 0.4 OUTLIER -123.32 109.31 13.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.036 0.446 . . . . 0.0 110.288 179.03 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.7 mp -98.84 150.83 4.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.139 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -98.74 133.91 42.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.298 0.571 . . . . 0.0 112.015 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 30.0 p -149.64 99.64 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.17 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 31.1 m -101.23 151.0 37.62 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.645 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.874 ' HB2' HD13 ' A' ' 107' ' ' ILE . 44.3 Cg_endo -97.59 109.14 0.09 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 123.168 2.578 . . . . 0.0 112.373 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 100' ' ' PRO . 27.1 m 47.14 -176.46 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.792 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -121.41 32.65 5.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.441 ' H ' HG23 ' A' ' 101' ' ' VAL . 37.0 t -133.31 -178.23 4.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.807 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -130.31 125.56 35.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 137.36 -94.02 0.22 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.489 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.4 t -108.19 120.36 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.734 0.302 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.874 HD13 ' HB2' ' A' ' 100' ' ' PRO . 37.6 mt -108.23 112.02 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.031 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 29.4 mm -81.64 -66.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.9 162.07 14.78 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.473 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -122.53 138.04 54.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 34.1 mt -103.96 137.7 31.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.05 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.83 143.43 44.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.4 m -109.93 134.0 52.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -141.21 139.5 33.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 44.9 ttp85 -148.76 119.52 7.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -115.58 106.59 14.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.33 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.264 -0.874 . . . . 0.0 111.052 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.671 ' O ' HD12 ' A' ' 5' ' ' LEU . 4.6 p80 -140.19 -45.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.4 mtt -59.91 -43.92 94.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.95 82.22 0.87 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.488 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.671 HD12 ' O ' ' A' ' 2' ' ' HIS . 10.6 mt -146.1 -68.68 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -80.5 -52.76 0.92 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 6' ' ' GLU . 74.6 Cg_exo -49.65 -36.82 42.21 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.615 2.21 . . . . 0.0 112.466 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -73.75 -29.98 62.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -72.15 -44.58 62.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.2 pt -68.41 -29.83 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.063 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m 59.98 88.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.42 -26.51 41.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.234 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 13' ' ' LEU . 9.7 tt -56.74 -30.18 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -80.42 -44.77 18.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -60.04 -35.08 74.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.22 -64.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' HG2' HD23 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -61.44 -25.72 67.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -52.08 -29.97 23.87 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.1 24.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.9 mtt -75.08 -22.1 58.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.448 HD23 ' HG2' ' A' ' 17' ' ' ARG . 0.2 OUTLIER -54.49 -32.64 58.3 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.106 -179.852 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -68.85 -61.62 1.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 t 61.55 155.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.991 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.43 132.92 65.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.28 36.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.91 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.53 35.06 4.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.37 168.88 36.72 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.617 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.2 t -125.73 103.51 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.795 0.331 . . . . 0.0 111.065 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -149.87 107.84 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -113.59 139.01 49.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 110' ' ' ALA . 33.9 m -113.48 149.44 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.069 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.69 64.55 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.176 0.512 . . . . 0.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.8 t0 52.25 26.49 4.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.343 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -151.75 -75.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 162.24 50.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -91.0 82.32 5.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.799 0.333 . . . . 0.0 110.99 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 m -75.8 137.88 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.055 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t 174.51 -33.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tp -99.83 117.2 33.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.414 HG22 ' OD1' ' A' ' 56' ' ' ASP . 17.1 tt -142.35 145.95 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -70.65 158.99 35.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -64.98 -41.9 95.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.26 -29.15 61.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.411 ' HB3' HG12 ' A' ' 40' ' ' ILE . . . -63.2 -44.64 94.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -56.47 -35.73 68.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.33 -31.89 72.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -34.55 78.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.769 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -75.44 -34.02 60.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 60.48 166.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.006 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 63.53 128.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 60.82 -172.34 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.985 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.17 -65.15 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -71.78 -30.96 66.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.78 71.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.21 -32.88 71.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' OD1' HG22 ' A' ' 40' ' ' ILE . 5.1 m-20 -60.32 -72.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -101.49 86.22 2.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.829 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -80.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.504 ' C ' ' HG ' ' A' ' 60' ' ' SER . 0.8 OUTLIER -177.11 34.96 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.072 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.504 ' HG ' ' C ' ' A' ' 59' ' ' LEU . 96.3 p 52.71 -86.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.353 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' LEU . 4.7 p -152.17 85.91 1.29 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.765 0.316 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.564 HD13 HG21 ' A' ' 87' ' ' ILE . 83.8 mt 60.48 -179.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.762 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 t -83.37 78.16 9.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -66.53 127.7 33.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -115.7 -178.82 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -78.43 73.49 4.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -115.69 -63.7 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -150.51 39.85 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.5 t -58.56 -42.16 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.7 m -62.3 -30.97 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.87 -38.88 92.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -79.26 -36.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.73 -31.04 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.053 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -61.28 -53.01 62.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.035 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.447 HG11 ' HG2' ' A' ' 82' ' ' ARG . 51.4 t -57.83 -38.77 67.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.507 HD11 ' HB1' ' A' ' 110' ' ' ALA . 0.6 OUTLIER -75.22 -30.83 60.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.91 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -69.35 -61.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.821 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -59.6 -32.06 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 100' ' ' PRO . . . 90.32 38.84 6.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.592 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -99.71 99.37 8.71 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.519 0.199 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -61.84 104.12 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.404 2.069 . . . . 0.0 112.51 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' HG11 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -147.05 137.55 23.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.413 179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -105.38 99.39 9.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.441 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.67 98.75 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.359 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 95' ' ' LEU . 4.4 mt-10 -151.42 150.21 30.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.762 0.315 . . . . 0.0 111.21 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.503 ' HA ' ' HB2' ' A' ' 93' ' ' LEU . 3.7 tt0 -140.74 95.98 2.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 CA-C-O 122.811 1.291 . . . . 0.0 112.083 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.948 HG22 HD12 ' A' ' 94' ' ' LEU . 1.1 mm -127.03 94.41 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.486 0 N-CA-C 100.224 -3.991 . . . . 0.0 100.224 172.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.602 ' HB ' ' HA ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -104.36 94.08 5.15 Favored 'General case' 0 C--N 1.309 -1.16 0 C-N-CA 119.465 -0.894 . . . . 0.0 112.142 -174.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.506 HG23 HD11 ' A' ' 94' ' ' LEU . 25.0 pt -51.43 -41.23 25.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.294 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' N ' HG13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -115.75 -62.24 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.109 179.336 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -156.08 178.98 9.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.469 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.448 ' O ' HD23 ' A' ' 93' ' ' LEU . 0.0 OUTLIER 64.11 -94.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.602 ' HA ' ' HB ' ' A' ' 88' ' ' THR . 0.2 OUTLIER 172.04 -179.07 0.06 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.918 0.39 . . . . 0.0 111.001 -179.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.948 HD12 HG22 ' A' ' 87' ' ' ILE . 70.8 mt -138.4 99.44 3.84 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.068 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 85' ' ' GLU . 1.1 pp -99.87 114.48 27.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.228 0.537 . . . . 0.0 109.936 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 96' ' ' ILE . 1.5 mp -98.63 150.65 4.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.065 -179.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -98.75 118.56 35.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.308 0.575 . . . . 0.0 112.076 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 28.5 p -150.05 99.51 2.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.6 m -121.44 150.05 53.69 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.637 -179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HB2' HD11 ' A' ' 107' ' ' ILE . 63.9 Cg_endo -98.87 150.02 0.62 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.288 2.659 . . . . 0.0 112.18 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.801 HG22 HD13 ' A' ' 111' ' ' ILE . 31.4 m -123.42 131.32 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.938 0.399 . . . . 0.0 111.147 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -63.48 132.02 50.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 -70.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -121.24 28.51 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.38 -84.42 0.37 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.486 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.7 m -63.69 135.05 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 100' ' ' PRO . 15.4 tt -96.04 111.95 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.249 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 20.7 mm -119.41 -60.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.988 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -70.33 175.73 35.8 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 31' ' ' VAL . . . -149.87 134.51 17.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.799 0.333 . . . . 0.0 111.062 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.801 HD13 HG22 ' A' ' 101' ' ' VAL . 3.7 mp -109.42 148.57 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.99 136.21 40.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 3.6 m -99.95 129.09 45.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -130.91 100.24 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -149.96 102.56 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -129.69 125.58 36.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -175.01 145.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 118' ' ' THR . 3.9 t . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.073 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -144.55 55.5 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -108.99 -172.7 2.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.26 31.72 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.615 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.4 17.46 17.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.703 0.287 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' CB ' ' CD ' ' A' ' 7' ' ' PRO . 0.7 OUTLIER -77.71 -63.17 0.49 Allowed Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.292 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' CD ' ' CB ' ' A' ' 6' ' ' GLU . 20.7 Cg_endo -60.64 -28.41 86.51 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.414 2.076 . . . . 0.0 112.341 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -63.24 -32.2 73.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -82.17 -30.4 30.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 39.6 mm -60.19 -59.61 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.5 m 63.42 115.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.77 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.1 p -78.3 -31.67 49.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.246 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -59.42 -36.69 76.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -81.09 -29.89 34.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.028 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -76.89 -50.1 14.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -59.27 -30.99 68.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -69.65 -51.2 36.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.83 -29.24 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.254 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 tpt -67.57 -52.32 40.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.041 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.22 -68.9 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -68.12 -63.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.064 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p 62.54 160.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 26' ' ' GLU . 32.7 mm -76.46 134.18 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 31.08 6.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.696 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 24' ' ' ILE . 9.8 tp10 -59.88 98.04 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.17 153.92 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -125.71 99.98 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -148.89 100.82 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.24 148.95 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' ALA . 2.7 m -112.81 100.05 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -70.24 75.84 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.82 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t0 60.66 108.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 58.82 30.82 20.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.38 155.96 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.599 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.892 ' O ' HG22 ' A' ' 38' ' ' THR . 3.7 tp10 -101.52 -2.13 31.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.455 0.169 . . . . 0.0 111.405 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.15 32.68 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.854 0.359 . . . . 0.0 111.828 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 36' ' ' GLU . 10.1 t 179.31 49.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.97 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tt -141.5 112.65 7.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.507 ' O ' HG23 ' A' ' 40' ' ' ILE . 13.6 tt -150.03 119.81 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.3 -175.82 4.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.028 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.29 -54.85 23.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' O ' HD12 ' A' ' 47' ' ' LEU . . . -56.19 -28.54 58.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.13 -35.7 59.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.049 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -77.94 -42.64 32.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -57.32 -25.44 59.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -56.21 -67.08 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.976 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -63.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -166.18 163.7 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.034 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -115.13 114.54 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.814 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.87 23.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.29 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.76 -156.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -44.39 -29.69 0.72 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.796 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -50.8 -29.8 12.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.818 0.342 . . . . 0.0 111.032 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.04 -56.1 4.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 45.69 -170.57 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.454 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -72.38 164.75 25.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -75.12 -78.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -177.52 101.31 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 28.8 t -63.63 171.3 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.2 m 65.42 125.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.53 67.31 1.26 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.2 t -83.88 166.66 17.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.976 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -166.43 101.86 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.774 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.0 t 62.83 178.36 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -104.28 140.35 37.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.8 m -158.26 -63.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -176.28 45.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.9 m -67.6 -29.23 44.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.4 m -59.47 -34.4 54.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -67.67 -31.68 71.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.46 HG11 ' NH2' ' A' ' 83' ' ' ARG . 21.5 t -78.4 -30.38 15.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 71.4 m -74.35 -30.99 62.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.2 -54.01 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.78 -44.6 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.5 tp -65.64 -46.99 77.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -60.94 -50.99 71.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -74.16 -65.64 0.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.896 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 152.22 -130.83 3.2 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.91 107.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 CA-C-O 120.469 0.176 . . . . 0.0 111.094 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.83 70.4 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.67 2.246 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.58 98.83 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.66 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.653 ' HB2' HG13 ' A' ' 99' ' ' VAL . 0.1 OUTLIER -151.19 142.27 23.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.987 179.875 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.71 151.59 21.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.07 0.462 . . . . 0.0 110.535 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -99.04 99.52 10.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.778 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.643 ' C ' HD12 ' A' ' 87' ' ' ILE . 1.1 tp10 -150.4 96.09 2.34 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 122.547 1.165 . . . . 0.0 111.909 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.745 HG22 HD12 ' A' ' 94' ' ' LEU . 2.0 mp -123.1 93.6 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.596 0 N-CA-C 100.899 -3.741 . . . . 0.0 100.899 172.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 88' ' ' THR . 1.0 OUTLIER -111.78 99.1 7.87 Favored 'General case' 0 N--CA 1.432 -1.35 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.677 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.55 HG23 HD11 ' A' ' 94' ' ' LEU . 1.6 pp -79.59 111.94 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.598 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.17 -87.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.431 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -131.46 -29.5 1.77 Allowed 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.5 ttm180 -44.08 -40.95 5.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.71 0.291 . . . . 0.0 111.324 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 95' ' ' LEU . 5.0 tt 61.93 129.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.745 HD12 HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -140.12 150.06 43.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.197 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.625 HD21 HD21 ' A' ' 93' ' ' LEU . 0.3 OUTLIER -131.78 106.9 8.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 0.0 110.977 179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.608 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.6 mp -112.37 150.2 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -99.64 128.78 45.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.132 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.7 p -148.06 100.03 3.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG13 ' HB2' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -142.22 150.44 55.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -98.43 100.65 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.246 2.631 . . . . 0.0 112.347 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 102' ' ' ARG . 10.2 p -142.52 158.99 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.483 ' N ' HG22 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -170.36 178.8 3.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.25 -7.46 53.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.367 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -106.26 148.94 27.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -85.14 55.38 4.95 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.582 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.64 163.04 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 107' ' ' ILE . 6.6 tp -100.8 84.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 108' ' ' ILE . 9.1 tp -126.7 126.05 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.67 -178.92 5.28 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.691 ' HB3' HG23 ' A' ' 31' ' ' VAL . . . -148.37 149.92 32.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.785 HD13 ' N ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -116.82 130.37 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.055 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.785 ' N ' HD13 ' A' ' 111' ' ' ILE . 19.1 p -113.42 136.19 53.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.4 m -107.16 125.98 51.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.79 145.54 31.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -149.7 128.15 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.538 ' O ' HG22 ' A' ' 118' ' ' THR . 0.1 OUTLIER -145.88 145.95 30.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.934 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 59.1 29.91 19.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 116' ' ' ASP . 4.9 t . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 stop_ save_