data_1iur_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 1iur _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.723 0.296 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.09 -48.06 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -58.0 -28.18 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -37.63 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 t -71.09 -29.9 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -71.43 -23.29 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.214 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -86.53 -47.85 8.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.137 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.15 -28.25 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.407 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 p -73.92 -39.75 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.97 -29.33 61.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -29.91 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.76 -5.49 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.592 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -93.09 20.88 6.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.642 0.258 . . . . 0.0 111.382 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -109.48 -28.89 8.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.01 155.77 90.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.45 -72.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -163.01 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.95 -24.59 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.72 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -56.01 -65.94 0.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -61.22 -25.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -58.25 -34.77 70.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.3 -41.02 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.16 -30.71 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -31.53 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -48.29 57.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.63 -31.3 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -66.59 -30.61 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.97 -38.14 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -40.13 96.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -97.99 34.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.423 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 t-80 -89.28 140.83 28.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 41.9 Cg_endo -67.31 -36.48 20.71 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.468 2.112 . . . . 0.0 112.26 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.0 -30.72 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -32.3 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -59.7 145.1 84.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.46 -46.11 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.172 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -151.03 37.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -122.63 74.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.0 -50.55 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -41.73 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.98 -31.35 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 -45.1 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.3 -31.54 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -57.16 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.07 -31.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -38.99 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -59.71 -39.37 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -77.3 -29.49 53.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 tp -76.07 -44.07 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -51.56 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.07 -26.4 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -70.31 -25.57 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.395 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.18 -68.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.499 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -32.89 50.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.353 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -59.89 -42.52 93.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 95.5 mt -92.43 -30.71 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.7 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.125 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -83.01 -45.87 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.43 64.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.104 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.751 0.31 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.76 -29.66 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.058 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -31.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.37 -35.6 54.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -65.81 -28.02 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -70.11 -20.25 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.276 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -87.66 -46.48 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.707 0.289 . . . . 0.0 111.164 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.13 -37.62 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.364 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.25 -45.03 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.357 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -70.76 -28.12 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -85.67 -32.34 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.007 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.247 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.423 ' CE2' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.15 -26.94 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.46 -29.14 63.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.37 153.63 59.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.69 -70.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -167.24 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -53.6 -54.76 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.77 -17.53 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.76 -53.04 24.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 111.045 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.72 25.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.547 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -63.05 -23.51 67.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.409 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 mp -92.74 -32.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.399 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.26 -39.75 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.165 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -68.85 -31.09 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -70.87 -47.33 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.66 -30.52 64.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -70.26 -39.11 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.3 20.72 10.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.221 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.76 -33.86 2.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -95.54 36.12 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.088 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -81.1 123.83 81.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.668 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.7 -46.16 35.75 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.434 2.089 . . . . 0.0 112.327 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -46.88 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.1 -31.99 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -74.34 152.49 87.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.77 -62.55 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.221 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -160.06 106.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -177.72 97.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -94.75 -14.2 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.03 -43.0 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.063 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mt -64.05 -43.8 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.57 66.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.2 -38.82 87.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.27 -51.4 69.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.081 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.68 -32.02 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.234 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -36.89 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.15 -38.81 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OE2' ' A' ' 66' ' ' GLU . 18.5 t60 -83.16 -36.72 24.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.14 -36.38 77.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -80.9 -35.94 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.73 -30.75 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 62' ' ' HIS . 62.0 mt-10 -66.7 -28.45 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.04 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.99 -67.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -28.08 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -59.31 -45.28 91.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 26' ' ' TRP . 81.0 mt -93.14 -37.71 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -25.78 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -84.48 -56.86 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -29.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.245 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.41 HG23 ' CH2' ' A' ' 44' ' ' TRP . 24.5 mm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD13 ' CD2' ' A' ' 62' ' ' HIS . 3.2 mm? -65.38 -30.84 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.47 -27.54 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.17 -31.18 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.45 -29.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -76.9 -22.93 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -87.46 -42.49 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 111.179 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.96 -28.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.354 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -72.52 -44.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.225 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -70.45 -34.1 72.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.996 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.74 -29.33 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.88 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.242 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.418 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -50.19 -27.13 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.385 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -58.11 -27.77 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -85.18 154.17 60.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.57 -74.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -162.88 -43.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -59.94 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -79.51 -26.93 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -58.55 7.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -55.9 -22.33 25.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -24.75 67.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.276 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 3.8 mp -91.85 -34.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.235 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.26 -29.7 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -76.5 -39.28 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -74.52 -37.46 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 HD11 ' CD1' ' A' ' 44' ' ' TRP . 3.5 mm? -64.56 -45.32 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.26 -42.48 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.87 -31.45 45.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -29.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 57.0 m95 -96.86 39.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -101.48 139.52 20.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.89 -44.35 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.489 2.126 . . . . 0.0 112.37 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.1 32.95 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -140.33 153.94 69.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.47 -64.21 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 112.371 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -160.0 108.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -177.62 93.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -92.32 -56.4 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.22 -37.78 75.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.08 -47.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.55 67.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.92 -52.18 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -29.78 60.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.197 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.416 HG22 ' CZ3' ' A' ' 44' ' ' TRP . 41.1 t -84.44 -32.63 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -41.16 93.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -59.99 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.42 ' CD2' HD13 ' A' ' 15' ' ' LEU . 21.7 t60 -65.38 -37.23 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.27 -50.54 67.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.961 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -43.85 93.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.11 -10.7 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.536 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mm -86.57 -58.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.551 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -59.17 -38.95 80.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.459 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -34.38 72.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.115 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HB3' ' CZ2' ' A' ' 26' ' ' TRP . 31.9 mt -93.6 -52.05 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.35 -29.94 49.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.213 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.91 -29.8 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.286 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.338 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mp -70.46 -30.12 66.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -67.06 -29.79 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.99 -31.24 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.35 -28.92 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -70.02 -22.03 63.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.305 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 t -90.94 -56.34 3.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -57.33 -25.29 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.516 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.75 -41.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.334 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.58 -28.79 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -65.16 -45.98 82.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.073 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -34.28 77.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -63.6 -28.9 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.989 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -21.32 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 2.4 mm? -83.49 156.14 65.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -56.01 -59.68 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.744 2.296 . . . . 0.0 112.214 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -178.73 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -54.84 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.85 -33.06 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -51.55 -67.24 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -25.92 12.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.44 -30.26 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.54 -38.63 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.59 -27.13 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -78.35 -39.83 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.11 -39.23 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.17 -31.09 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -79.71 -31.31 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.64 -30.02 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -76.26 -37.11 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.401 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 70.4 m95 -96.19 42.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.02 139.6 20.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 -27.47 21.87 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.476 2.117 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.6 -42.88 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -101.55 45.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -149.7 165.23 18.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.89 -159.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.652 2.235 . . . . 0.0 112.248 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.66 59.58 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -123.13 101.14 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -94.63 -38.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.25 -48.71 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.49 -26.55 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.95 -41.85 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.17 -38.29 81.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.68 -41.02 85.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.401 HG22 ' CZ3' ' A' ' 44' ' ' TRP . 22.7 t -79.9 -31.03 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -67.64 -46.6 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 2.2 t60 -58.82 -30.08 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 tp -78.53 -60.74 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -54.48 -26.08 29.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.96 -27.82 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -78.24 -29.22 48.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.167 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.5 mt -65.29 -64.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -53.11 -25.22 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -63.11 -49.28 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' CE2' ' A' ' 26' ' ' TRP . 1.5 mt -92.67 -42.03 9.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -24.05 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -85.55 -48.3 9.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -72.31 -28.64 63.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.738 0.304 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.95 -72.05 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -55.05 -24.26 24.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -67.28 -30.06 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -71.57 -37.23 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -81.13 -47.07 13.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.7 -43.43 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.28 -44.89 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.99 -31.17 68.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -72.0 -30.57 65.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.51 -36.55 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -27.12 49.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -57.25 -29.23 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.31 154.02 66.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -55.88 -73.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.42 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -165.11 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -49.35 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.49 -21.87 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -63.37 -52.46 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 111.1 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -61.71 -22.61 65.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.393 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -58.93 -31.21 68.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.096 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.76 -48.45 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.3 mp -65.5 -26.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.3 -33.31 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.26 -34.05 59.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.42 -31.8 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -75.99 -31.89 59.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.68 30.41 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.37 -42.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CD2' HG12 ' A' ' 59' ' ' VAL . 55.1 m95 -95.46 35.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.422 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 t-80 -91.68 142.36 26.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.776 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 47.0 Cg_endo -68.53 -26.84 33.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.45 2.1 . . . . 0.0 112.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.68 -30.9 46.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -106.76 39.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -143.26 163.36 37.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.84 -158.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.601 2.2 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -9.79 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.393 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -53.14 97.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -94.65 -30.55 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.14 -36.52 27.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.43 -48.47 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.227 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.05 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.19 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.69 -59.72 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 44' ' ' TRP . 21.4 t -60.32 -42.88 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.8 t80 -65.37 -35.41 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -29.84 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -91.98 -28.71 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.29 -57.48 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.443 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 7.3 mt-30 -57.23 -22.26 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.372 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.87 -22.06 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.359 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -28.61 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.302 . . . . 0.0 111.225 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.28 -63.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.333 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -55.19 -30.58 60.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.06 -53.02 62.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.14 -44.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.53 -26.39 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -63.66 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -58.6 -32.9 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.229 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.3 mm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.746 0.307 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.78 -42.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -59.56 -30.57 68.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -30.74 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.3 t -81.0 -27.13 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.252 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -77.62 -22.59 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.314 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -87.44 -37.83 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -78.8 -28.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.388 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.46 -34.18 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -28.48 34.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -71.39 -36.37 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.77 78.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -25.71 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -58.68 -28.95 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.79 153.33 55.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -56.63 -75.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.789 2.326 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.55 -43.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m -54.78 -51.38 65.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -22.71 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -53.34 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -58.74 -25.95 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -29.65 64.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.13 -31.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.433 HD13 HG21 ' A' ' 37' ' ' ILE . 29.6 mm -76.88 -41.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -71.24 -33.97 70.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -56.45 21.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 44' ' ' TRP . 4.0 mm? -68.14 -40.74 82.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.5 mt -97.32 -31.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -36.09 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.9 m95 -97.25 39.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.13 128.55 47.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.49 -39.17 83.17 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.234 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -33.77 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -74.45 -38.25 63.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.92 151.56 88.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 -62.01 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.555 2.17 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.68 90.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -138.88 86.28 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -6.97 58.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.427 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.32 -49.42 2.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.799 0.333 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.19 -33.16 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.72 -53.83 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.9 -39.05 68.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.05 -58.49 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -60.76 -34.82 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -40.11 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -81.11 -31.41 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -66.04 -33.6 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -83.21 -41.34 18.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -37.02 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -25.29 67.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.3 mm -64.93 -64.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.23 -28.47 27.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.04 -46.18 85.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.13 -35.02 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -17.91 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -92.33 -60.4 1.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.64 -30.59 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HG21 ' CH2' ' A' ' 44' ' ' TRP . 28.3 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.784 0.325 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.73 -33.17 69.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.13 -30.95 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -88.2 -31.06 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 t -71.49 -31.2 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -72.14 -25.9 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -83.07 -43.01 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.029 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -69.28 -35.86 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.314 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.81 -45.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.9 -32.69 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.34 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.28 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.474 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -93.56 22.79 5.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -111.59 -22.83 11.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 166.79 12.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.82 171.32 13.61 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.068 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -54.32 -24.2 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.87 -36.09 25.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.18 44.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -26.93 67.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.55 -34.32 72.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.138 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -51.76 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.239 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.2 -30.32 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.17 -29.98 69.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -40.65 65.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.39 -39.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.51 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -88.82 -40.91 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HD3' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.029 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 86.0 m95 -107.71 49.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -102.6 133.97 20.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.75 -26.68 45.19 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.421 2.081 . . . . 0.0 112.384 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.48 -26.22 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 33.47 4.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -106.11 151.7 40.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.19 -51.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.398 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.34 39.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.089 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -126.33 90.6 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -89.61 -31.19 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -35.89 50.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.1 mm -74.45 -39.11 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.37 79.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.28 -41.12 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.79 -45.54 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 t -71.81 -30.75 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -34.81 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -60.06 -53.76 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.97 -30.1 70.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -65.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -47.83 74.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -26.84 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.37 -24.61 39.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.77 -38.26 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.263 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.26 -29.93 24.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.1 -40.2 82.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.7 mt -85.76 -41.92 14.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.55 -30.56 71.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -54.83 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -57.14 -25.78 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.178 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -30.61 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.38 -31.97 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.52 -29.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.8 m -73.99 -24.77 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -81.84 -38.45 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -77.67 -34.11 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.342 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 p -69.75 -40.36 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 111.221 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -28.09 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -75.47 -37.67 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.93 85.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -43.59 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -58.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -55.91 158.53 6.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.81 173.01 8.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.487 2.125 . . . . 0.0 112.193 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.16 -19.35 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -54.17 -65.41 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.252 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.43 -40.21 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.9 ttp180 -46.71 -46.98 20.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -22.31 48.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -90.59 -32.43 16.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.253 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.73 -29.25 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -81.55 -30.04 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -59.21 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.34 -42.52 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.036 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.3 -32.78 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -37.01 68.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' HG23 ' A' ' 59' ' ' VAL . 44.5 m95 -97.68 51.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.94 136.32 19.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.17 -35.86 6.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.393 2.062 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.9 -37.65 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.15 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -81.5 163.57 53.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.72 -159.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.225 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.48 71.33 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -112.82 103.58 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -93.79 -7.41 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.13 -46.15 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.33 -22.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 -27.44 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -43.59 13.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.183 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' CZ3' ' A' ' 44' ' ' TRP . 38.2 t -74.78 -39.37 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -38.57 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -60.28 -53.95 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -66.55 -33.14 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -62.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -43.58 96.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.37 -35.97 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.28 -25.45 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.9 mm -65.34 -64.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.35 -27.21 22.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -50.34 74.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.71 -40.82 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -22.53 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -83.8 -55.83 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -28.59 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.693 0.282 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.78 -29.82 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -68.35 -31.25 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.46 -31.27 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.18 -29.7 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -78.08 -25.08 47.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 m -84.09 -36.75 22.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.02 -33.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.02 -43.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -29.9 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.83 -32.12 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.65 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ2' ' OE2' ' A' ' 71' ' ' GLU . 3.4 t-105 -55.42 -26.36 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.85 -29.87 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.62 154.27 73.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.81 -67.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.801 2.334 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -172.93 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -56.52 -49.19 75.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.62 -11.14 37.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.236 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -80.03 -51.38 9.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.364 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -43.52 74.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -54.09 -24.27 16.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.396 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.11 -46.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.98 -32.59 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -65.25 -34.08 77.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -53.66 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -43.87 94.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 41' ' ' TYR . 11.4 t80 -63.61 -26.66 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.99 -44.59 9.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.02 -26.25 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.279 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.441 ' CD1' ' HD2' ' A' ' 43' ' ' LYS . 78.3 m95 -97.29 42.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 t-80 -95.07 140.73 22.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 48.3 Cg_endo -68.75 -27.72 31.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.083 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.45 -30.47 61.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -98.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -131.02 130.15 22.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.84 -65.43 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.437 2.091 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -146.66 28.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -116.75 74.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 2.3 t-160 -93.23 -40.87 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.12 -38.87 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mt -75.17 -30.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.61 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -32.07 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.74 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 t -77.98 -29.79 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -43.87 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -59.17 -55.36 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.22 -30.02 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -44.88 75.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.03 -34.88 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -34.89 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.47 -60.46 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -61.32 -27.22 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -57.24 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.1 -40.55 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' OE2' ' CZ2' ' A' ' 26' ' ' TRP . 1.3 tp10 -55.91 -27.83 53.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.58 -55.23 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.54 -22.97 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.284 -179.724 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mm . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.3 mp -62.06 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -59.26 -30.3 68.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -81.4 -34.93 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.7 -30.5 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -72.4 -26.14 61.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -81.28 -43.31 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.26 -42.13 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.3 -45.1 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.165 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.98 -30.53 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.44 -27.99 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.27 -6.29 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.712 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 26.9 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.771 0.32 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -129.49 1.94 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.03 163.13 45.71 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.682 0.277 . . . . 0.0 110.971 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.39 172.08 2.13 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.691 2.261 . . . . 0.0 112.424 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.1 -24.86 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.284 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -53.32 -56.19 18.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -29.35 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -50.25 65.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.58 -11.98 60.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -80.35 -30.41 38.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.55 -42.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.336 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.45 -32.03 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -43.6 28.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -49.03 77.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.99 -47.4 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.01 -40.67 90.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.44 -37.29 51.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.05 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CZ3' HG23 ' A' ' 59' ' ' VAL . 39.8 m95 -94.4 46.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 t-80 -95.37 140.4 22.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 50.1 Cg_endo -69.09 -28.1 28.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.148 . . . . 0.0 112.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.27 -26.43 42.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 30.74 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.74 143.96 51.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.71 -59.74 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.492 2.128 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -149.49 80.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -142.35 82.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -84.97 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.6 -31.16 46.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.66 -48.88 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.86 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.0 -35.07 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -42.33 73.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.989 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG23 ' CZ3' ' A' ' 44' ' ' TRP . 36.6 t -69.95 -29.96 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -43.84 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.18 -32.19 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.0 t60 -82.76 -36.54 25.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.6 -43.97 58.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.88 -43.44 90.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.54 -30.44 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.5 mt -71.68 -66.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.183 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -56.94 -24.08 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -66.16 -42.98 88.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.22 -37.82 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.6 -30.67 69.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -57.67 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -21.84 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.237 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.7 0.285 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 62' ' ' HIS . 3.3 mm? -57.35 -35.83 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.29 -31.08 69.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.06 -31.24 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.14 -35.5 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -76.46 -50.2 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -58.79 -44.89 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 p -68.35 -34.15 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.95 -36.26 81.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -79.93 -29.26 39.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -13.45 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -95.5 23.16 6.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.676 0.274 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -124.21 0.59 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.397 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -127.07 158.93 67.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.74 166.12 3.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.716 2.277 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -57.5 -24.97 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.257 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -55.01 -48.27 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.3 -31.4 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -53.49 -53.05 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -58.47 -31.47 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -67.59 -49.3 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.06 -27.19 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.421 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mm -88.28 -43.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.275 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.67 -41.38 81.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -52.7 62.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.04 -35.35 76.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.85 -39.23 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.54 34.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -139.25 -40.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.448 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 88.7 m95 -94.23 35.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.57 111.59 48.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.9 -37.36 36.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.505 2.137 . . . . 0.0 112.423 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -61.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.75 146.81 80.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 -62.53 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -159.38 92.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -170.16 76.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -6.84 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.444 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.1 -30.88 7.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.14 -35.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -41.75 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -43.69 81.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.82 -51.07 71.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.448 ' CG2' ' CZ3' ' A' ' 44' ' ' TRP . 31.2 t -66.19 -32.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -48.03 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -59.25 -37.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.422 ' CD2' HD13 ' A' ' 15' ' ' LEU . 10.3 t60 -74.23 -36.24 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.01 -40.06 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -53.81 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.08 -30.83 69.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.63 -27.83 69.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.07 -68.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.91 -28.3 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mt -92.69 -38.71 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.088 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.83 -30.18 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -84.5 -47.74 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.36 -37.92 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.727 0.298 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.89 -59.58 5.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -52.97 -25.64 12.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.992 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -79.71 -30.55 41.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -81.03 -31.11 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -66.24 -23.23 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.276 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -88.36 -51.91 5.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.18 -29.4 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.418 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -73.92 -43.24 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.358 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.21 -27.48 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.116 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.73 -38.21 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.68 -37.68 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -51.94 -25.64 8.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -58.11 -30.32 66.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.58 153.61 73.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.91 -62.41 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.722 2.282 . . . . 0.0 112.217 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.56 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -54.26 -48.03 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.83 -22.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -63.45 -53.31 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.215 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.64 32.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -60.37 -28.51 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.21 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.11 -33.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.213 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 HD13 HG22 ' A' ' 37' ' ' ILE . 28.5 mm -78.99 -54.6 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -72.33 -59.8 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.49 -35.27 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -61.47 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.12 -31.45 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -94.26 45.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -106.35 140.4 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -37.54 10.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.233 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.32 -39.7 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -33.79 41.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -61.04 151.36 75.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 -57.07 2.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.523 2.149 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 81.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -137.77 106.02 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -92.82 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.56 -39.48 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.53 -46.93 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.27 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.08 -35.25 77.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.48 -49.41 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.74 -37.32 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -36.37 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -60.02 -43.29 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.16 -33.16 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.87 -58.51 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.67 -52.6 55.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.55 -26.46 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.14 -30.29 60.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.1 mt -65.85 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.13 -25.48 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -71.79 -51.55 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.09 -47.13 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.89 -29.39 59.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.91 -30.98 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.19 -40.9 58.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.95 -38.39 82.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.72 -36.86 84.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.93 -28.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -76.41 -22.11 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -86.46 -44.15 12.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.723 0.297 . . . . 0.0 111.163 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.19 -32.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.12 -44.41 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.96 -27.69 65.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.07 -20.34 52.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.92 57.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.549 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -99.34 26.57 5.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 5.76 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.405 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.05 157.67 73.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.661 0.267 . . . . 0.0 110.938 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.4 174.5 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -57.93 -27.28 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.8 m -55.24 -41.78 72.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.89 -32.81 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.89 -39.88 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -9.13 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.43 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -93.31 -42.0 9.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.742 0.306 . . . . 0.0 111.098 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.05 -49.09 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.284 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.5 -45.58 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -61.31 -46.69 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -59.67 -44.36 93.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -74.42 -30.89 62.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 mt -86.62 -35.78 19.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -35.57 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -98.4 36.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -94.5 128.35 40.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.76 -35.06 95.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.55 2.166 . . . . 0.0 112.176 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -33.17 75.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -20.02 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -116.55 82.23 12.18 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.76 -27.44 77.91 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.666 2.244 . . . . 0.0 112.236 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.4 -67.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -89.8 85.15 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.88 -1.9 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.383 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.98 -31.33 8.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.46 -29.64 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.26 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.17 -42.0 94.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.25 -26.85 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.4 t -91.93 -26.43 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.37 70.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -63.42 -44.46 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -76.31 -31.02 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.48 -30.65 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.33 -45.63 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -30.37 68.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.009 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.5 -56.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -69.07 -22.87 63.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -68.5 -45.83 71.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.085 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.4 mt -88.59 -37.32 15.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -66.54 -24.9 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -92.58 -56.08 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.76 -45.36 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -32.97 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -31.93 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 t -75.03 -28.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.4 m -70.66 -26.1 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -86.92 -47.53 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -65.93 -26.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.455 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -76.98 -40.24 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.35 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -26.91 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -28.15 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.078 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.73 61.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.333 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -27.18 28.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -61.05 -28.26 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.74 153.8 64.56 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.18 -74.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -159.45 -43.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -51.8 -65.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.54 -18.15 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -66.94 -59.12 3.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 0.0 111.028 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -24.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.358 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -57.77 -36.86 72.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.207 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.54 -41.86 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 mp -72.99 -28.69 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -28.7 65.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -78.42 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.35 -35.23 71.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -72.25 -37.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.31 30.75 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.56 -42.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.43 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 73.9 m95 -95.53 38.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -89.25 118.61 69.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.71 -34.78 85.44 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.451 2.101 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.8 -34.24 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -105.92 46.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -143.18 134.92 12.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.0 -44.05 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.607 2.205 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.56 36.94 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -117.87 28.63 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -26.48 67.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.85 -33.91 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.008 0.433 . . . . 0.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -69.61 -30.91 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -38.66 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -33.68 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.49 -44.7 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.43 ' CG2' ' CZ3' ' A' ' 44' ' ' TRP . 25.8 t -73.35 -30.5 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -31.98 73.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -68.12 -61.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -60.46 -30.2 69.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.32 -42.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.37 -44.81 18.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -29.79 64.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.013 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.16 -26.35 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.84 -68.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.63 -30.94 61.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -61.78 -48.19 81.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.2 mt -83.97 -46.09 12.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.5 -25.86 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -64.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.11 -28.31 66.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.987 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.091 -179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.9 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.5 mp -59.39 -31.74 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -30.09 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.06 -31.05 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.96 -32.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -67.22 -23.62 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -86.02 -45.91 11.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.97 -33.24 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -70.11 -44.53 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.28 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.77 -37.3 85.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.23 -28.43 68.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.01 -17.22 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.13 49.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 -41.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.85 156.24 26.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.72 -65.06 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.642 2.228 . . . . 0.0 112.302 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -173.85 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.084 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -54.84 -64.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -24.4 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.94 -68.09 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.131 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -25.45 16.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.32 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -64.86 -24.16 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.272 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.1 mm -82.51 -39.02 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.332 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.09 -44.04 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -26.11 63.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -51.65 8.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.61 -36.87 79.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.17 -30.17 71.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.87 -34.84 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -32.4 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -99.57 37.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -98.07 137.67 20.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.69 -41.12 3.31 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -29.77 69.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -99.51 40.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -140.68 165.2 31.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.07 -47.83 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.18 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.7 89.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -153.22 60.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -5.72 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.448 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -111.83 -32.6 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.763 0.316 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.98 -54.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.03 88.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.39 -38.08 79.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.95 -47.07 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.02 -33.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -31.16 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -59.5 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.42 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.4 t60 -63.83 -33.49 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -41.57 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.66 -38.62 88.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -14.82 51.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.79 7.73 25.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.533 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.56 -53.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.08 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.67 -35.98 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.5 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -44.59 82.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -65.95 -34.16 77.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.03 24.43 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.35 -34.35 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -33.41 62.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.63 -31.77 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.71 -54.26 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -56.15 -30.28 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -69.52 -47.45 63.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -70.59 -30.49 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -35.76 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.58 -31.03 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -77.1 -30.8 55.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.47 -35.5 58.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -54.89 -25.9 32.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -59.3 -29.68 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.5 153.38 76.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.63 -71.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -166.52 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -52.94 -54.46 34.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.58 -28.09 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -60.5 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.68 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -62.52 -30.38 71.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.98 -45.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.61 -30.73 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -62.7 -37.6 87.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -52.35 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.07 -42.11 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.82 -31.4 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -97.35 -30.62 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -34.54 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.53 31.53 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -85.71 128.9 56.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -32.54 39.36 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.443 2.095 . . . . 0.0 112.233 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -30.78 69.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.09 -31.82 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.77 152.63 75.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.65 -62.17 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.21 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -176.44 111.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -177.03 86.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -13.35 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.04 -54.67 2.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.91 -32.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.43 -55.94 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.9 -31.33 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.17 -51.21 68.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.81 -30.76 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -39.07 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.63 -31.1 67.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -78.29 -29.65 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 -40.7 35.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.16 -64.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -29.27 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -27.91 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.9 mt -75.02 -69.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.296 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -53.61 -25.05 15.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -66.21 -44.54 83.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.5 mt -92.59 -35.4 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -73.16 -55.81 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -63.34 -26.11 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.3 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.52 -38.41 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -61.77 -32.4 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.53 -31.81 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -65.03 -33.84 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -77.7 -27.24 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.5 m -79.51 -41.44 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.87 -40.61 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.67 -45.12 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.209 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.44 -32.75 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.36 -35.5 75.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.98 -5.17 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.53 21.76 8.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.775 0.322 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -118.56 -15.1 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.462 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -114.88 164.01 17.92 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.731 0.301 . . . . 0.0 110.787 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.77 170.0 2.96 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.539 2.159 . . . . 0.0 112.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.96 -24.35 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -53.66 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.57 -28.79 26.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -59.09 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -27.21 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -63.36 -42.04 98.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.207 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mm -71.81 -49.41 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.292 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.7 -29.57 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -53.8 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -59.63 -30.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.53 -42.62 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -66.52 -30.48 70.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -84.48 -47.3 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.89 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.81 51.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.02 120.08 41.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.93 -30.98 71.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.441 2.094 . . . . 0.0 112.271 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -34.91 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -79.39 -34.72 41.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.69 155.15 91.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.13 -61.84 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.604 2.203 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.95 104.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -166.92 109.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.19 -61.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -51.29 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.07 -41.27 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.49 -55.08 7.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.44 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -52.32 -38.99 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.246 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.08 -54.71 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.74 -36.87 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -60.32 -58.23 9.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.55 -37.81 85.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.96 -51.5 46.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -64.42 -30.46 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -29.02 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.69 -29.34 68.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.5 mt -64.23 -68.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -56.24 -29.38 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -61.74 -41.84 98.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 72.7 mt -92.34 -35.95 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.7 92.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.18 -55.59 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 5.1 pt20 -57.77 -26.2 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.422 HG23 ' CH2' ' A' ' 44' ' ' TRP . 30.4 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.67 -45.55 86.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.99 -30.64 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.05 -31.71 72.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.69 -27.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -75.73 -29.54 58.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -81.78 -39.19 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.72 -41.73 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.315 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.41 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -63.95 -35.59 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.64 -30.89 26.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -22.62 66.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.44 21.08 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -111.81 -22.75 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.77 166.95 11.29 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.97 174.32 11.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -53.63 -24.95 15.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -59.82 -64.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.2 -35.69 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.08 33.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -58.34 -25.75 62.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.326 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -77.91 -6.54 54.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.783 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mm -95.66 -33.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.711 0.291 . . . . 0.0 111.385 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.39 -39.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -26.86 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.068 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -80.3 -46.79 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.189 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.76 -32.52 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -71.71 -34.28 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.01 29.28 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.05 -43.83 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.422 ' CH2' HG23 ' A' ' 14' ' ' ILE . 92.0 m95 -97.47 30.67 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -90.05 122.68 67.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.751 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.3 -37.12 80.64 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.479 2.12 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.95 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 39.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.008 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -130.87 151.21 78.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.42 -62.15 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 112.379 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -144.72 -43.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.191 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -53.21 90.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.94 -21.3 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.05 -56.01 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.968 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -56.11 -25.53 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.02 -35.02 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -47.23 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.184 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.8 t -88.28 -35.19 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.4 t80 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -30.09 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.46 -33.61 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 71.7 mt-30 -53.41 -30.25 39.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.242 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.06 -35.79 28.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.48 -25.21 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.48 -67.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -54.86 -27.03 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -49.83 75.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.7 mt -89.32 -30.7 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.002 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.21 -29.99 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -82.71 -44.83 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.75 -29.66 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.059 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.708 0.29 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 62' ' ' HIS . 3.5 mm? -64.15 -53.5 48.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.61 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.62 -40.07 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.81 -28.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.3 m -64.62 -25.16 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m -84.9 -47.68 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.72 -37.03 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.271 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.75 -44.66 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.87 -36.4 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.04 -15.77 63.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.71 -6.59 48.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.655 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -94.94 27.09 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.756 0.312 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 4.61 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.98 155.99 35.88 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.724 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.16 -61.87 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.531 2.154 . . . . 0.0 112.214 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -178.77 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.9 m -53.27 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.11 -25.98 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -56.88 -66.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -57.28 -22.46 41.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.315 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -67.83 -30.9 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.282 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 mm -68.37 -37.42 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.224 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mp -76.66 -32.97 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.06 -29.35 68.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -30.76 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.17 -30.89 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -72.39 -38.47 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.024 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -95.33 20.27 9.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 -40.55 1.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 71.7 m95 -96.08 25.08 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.413 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 7.9 t-80 -75.44 139.55 71.5 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 69.4 Cg_endo -74.35 -40.93 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.092 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.77 -30.69 70.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -85.05 -40.27 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -79.25 111.98 24.66 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.34 -43.29 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.424 2.083 . . . . 0.0 112.392 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.11 -59.71 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.6 81.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -81.94 -54.72 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.63 -33.67 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.795 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.85 -42.97 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.77 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -33.36 75.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.26 -52.89 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.417 HG22 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -69.62 -32.23 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.94 -40.72 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.84 76.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.007 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.426 ' CD2' HD12 ' A' ' 15' ' ' LEU . 15.5 t60 -66.37 -35.02 79.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.87 -62.11 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -59.7 -47.62 84.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -27.68 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -77.55 -10.84 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -81.54 -42.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -63.33 -37.99 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -31.23 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.3 mt -94.75 -46.77 6.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.38 -29.87 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -63.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.61 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.792 0.329 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.24 -46.12 35.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -59.71 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -66.07 -38.25 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -71.93 -25.96 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -80.49 -20.65 43.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -87.32 -30.73 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.76 -37.44 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.12 -44.99 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -28.18 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.75 -20.62 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.21 -10.5 35.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.58 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 26.59 3.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 111.285 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.77 8.8 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -104.72 156.29 36.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.64 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 28' ' ' LEU . 10.8 Cg_endo -53.38 -63.28 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.537 2.158 . . . . 0.0 112.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.79 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.036 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -55.11 -65.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -24.69 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -57.88 -70.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -55.77 -23.52 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.415 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -63.26 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.139 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.8 mm -64.74 -42.9 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.187 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -80.42 -30.08 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.21 -30.33 71.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -47.27 14.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.65 -44.98 95.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -67.29 -31.83 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.09 34.47 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 -42.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.452 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 79.7 m95 -95.11 31.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -85.33 126.29 67.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.63 -23.48 74.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -34.73 61.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mmpp? -101.22 30.24 4.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -137.87 78.58 35.53 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.83 -27.78 85.72 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.697 2.265 . . . . 0.0 112.614 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.8 -48.03 3.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.37 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -84.81 61.06 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.398 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.72 -17.17 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.48 -39.06 17.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.5 mm -65.24 -43.33 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.16 -35.03 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -47.86 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.452 ' CG2' ' CZ3' ' A' ' 44' ' ' TRP . 25.2 t -70.4 -31.53 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -37.83 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.45 -40.92 88.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.37 -30.96 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.47 -29.07 68.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -91.0 -36.84 13.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.07 91.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.9 -27.58 68.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.36 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.29 -30.8 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -59.63 -46.59 88.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -87.14 -45.31 10.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.79 -29.01 58.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -59.93 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -57.17 -42.98 82.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -130.37 -50.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 59.46 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -120.58 -53.44 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.79 144.38 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.23 152.35 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.16 112.4 24.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.81 88.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.75 88.04 14.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 167.44 24.98 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.573 2.182 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -69.9 -30.81 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.79 35.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.566 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 m 58.26 60.33 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.4 mm -112.37 -28.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -82.09 -48.06 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -58.0 -28.18 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -37.63 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 t -71.09 -29.9 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -71.43 -23.29 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.214 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -86.53 -47.85 8.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.137 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -66.15 -28.25 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.407 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 p -73.92 -39.75 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.97 -29.33 61.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -29.91 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.76 -5.49 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.592 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -93.09 20.88 6.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.642 0.258 . . . . 0.0 111.382 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -109.48 -28.89 8.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.01 155.77 90.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.45 -72.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -163.01 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.95 -24.59 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.72 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -56.01 -65.94 0.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -61.22 -25.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -58.25 -34.77 70.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.9 mm -70.3 -41.02 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.16 -30.71 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -31.53 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -48.29 57.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.63 -31.3 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -66.59 -30.61 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.97 -38.14 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -40.13 96.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.0 m95 -97.99 34.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.423 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 t-80 -89.28 140.83 28.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 41.9 Cg_endo -67.31 -36.48 20.71 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.468 2.112 . . . . 0.0 112.26 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.0 -30.72 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -32.3 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -59.7 145.1 84.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.46 -46.11 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.172 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -151.03 37.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -122.63 74.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.0 -50.55 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -41.73 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.98 -31.35 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 -45.1 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.3 -31.54 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -57.16 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -61.07 -31.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -38.99 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -59.71 -39.37 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -77.3 -29.49 53.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 tp -76.07 -44.07 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -51.56 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.07 -26.4 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -70.31 -25.57 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.395 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.18 -68.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.499 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -32.89 50.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.353 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -59.89 -42.52 93.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 95.5 mt -92.43 -30.71 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.7 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.125 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -83.01 -45.87 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.43 64.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.17 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -164.25 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.16 92.92 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -153.04 109.63 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.16 88.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -155.23 60.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.5 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -88.2 -171.81 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.0 55.98 1.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 61.48 36.34 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -80.18 -47.99 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 63.49 125.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.05 36.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.09 -59.04 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.93 0.395 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -174.91 80.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 -51.47 2.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.08 116.2 16.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -109.93 -39.57 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -111.74 162.52 15.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -114.29 -178.68 3.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -92.2 -40.93 10.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.88 123.38 38.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.17 92.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -49.55 61.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.51 -27.97 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 p 58.7 -169.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mm 69.9 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.76 -29.66 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.058 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -31.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.37 -35.6 54.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -65.81 -28.02 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -70.11 -20.25 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.276 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -87.66 -46.48 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.707 0.289 . . . . 0.0 111.164 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.13 -37.62 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.364 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.25 -45.03 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.357 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -70.76 -28.12 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.154 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -85.67 -32.34 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.007 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.247 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.423 ' CE2' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.15 -26.94 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.46 -29.14 63.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.37 153.63 59.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.69 -70.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -167.24 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -53.6 -54.76 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.77 -17.53 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -68.76 -53.04 24.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 111.045 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.72 25.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.547 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -63.05 -23.51 67.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.409 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.0 mp -92.74 -32.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.399 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.3 mp -86.26 -39.75 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.165 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -68.85 -31.09 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -70.87 -47.33 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.66 -30.52 64.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -70.26 -39.11 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.3 20.72 10.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.221 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.76 -33.86 2.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -95.54 36.12 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.088 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -81.1 123.83 81.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.668 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.7 -46.16 35.75 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.434 2.089 . . . . 0.0 112.327 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -46.88 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.1 -31.99 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -74.34 152.49 87.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.77 -62.55 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.221 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -160.06 106.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -177.72 97.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -94.75 -14.2 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.03 -43.0 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.063 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mt -64.05 -43.8 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.57 66.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.2 -38.82 87.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.27 -51.4 69.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.081 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.68 -32.02 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.234 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -36.89 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.15 -38.81 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OE2' ' A' ' 66' ' ' GLU . 18.5 t60 -83.16 -36.72 24.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.14 -36.38 77.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -80.9 -35.94 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.73 -30.75 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 62' ' ' HIS . 62.0 mt-10 -66.7 -28.45 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.04 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.99 -67.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -28.08 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -59.31 -45.28 91.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HB3' ' CE2' ' A' ' 26' ' ' TRP . 81.0 mt -93.14 -37.71 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -25.78 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -84.48 -56.86 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -29.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.86 -30.03 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.245 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.29 -68.07 0.67 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.0 mp -60.25 -65.6 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t0 61.29 65.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.14 124.93 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -141.69 149.39 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.68 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.49 -48.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.24 171.48 13.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -157.34 104.11 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.5 32.79 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.76 -43.6 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.981 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.5 m -132.99 138.7 46.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.671 0.272 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -54.12 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.364 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 166.06 13.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -139.1 141.55 38.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -130.47 -74.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -141.27 167.86 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 60.36 88.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.51 113.3 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -149.34 151.45 33.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.6 146.12 60.22 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.37 -47.76 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.86 -38.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.59 58.35 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.41 HG23 ' CH2' ' A' ' 44' ' ' TRP . 24.5 mm -133.35 -45.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD13 ' CD2' ' A' ' 62' ' ' HIS . 3.2 mm? -65.38 -30.84 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.47 -27.54 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.17 -31.18 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.45 -29.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -76.9 -22.93 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -87.46 -42.49 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 111.179 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.96 -28.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.354 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -72.52 -44.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.225 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -70.45 -34.1 72.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.996 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.74 -29.33 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.8 -42.88 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.242 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.418 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -50.19 -27.13 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.385 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -58.11 -27.77 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' CD1' ' CD1' ' A' ' 36' ' ' ILE . 0.8 OUTLIER -85.18 154.17 60.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.57 -74.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -162.88 -43.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 111.075 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -59.94 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -79.51 -26.93 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.87 -58.55 7.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.03 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -55.9 -22.33 25.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -24.75 67.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.276 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' CD1' ' CD1' ' A' ' 28' ' ' LEU . 3.8 mp -91.85 -34.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.235 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -83.26 -29.7 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.143 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -76.5 -39.28 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -74.52 -37.46 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 HD11 ' CD1' ' A' ' 44' ' ' TRP . 3.5 mm? -64.56 -45.32 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.26 -42.48 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.87 -31.45 45.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -29.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 57.0 m95 -96.86 39.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -101.48 139.52 20.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.89 -44.35 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.489 2.126 . . . . 0.0 112.37 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.1 32.95 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -140.33 153.94 69.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.47 -64.21 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 112.371 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -160.0 108.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -177.62 93.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -92.32 -56.4 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.22 -37.78 75.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 mt -73.08 -47.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.55 67.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.92 -52.18 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.78 -29.78 60.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.197 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.416 HG22 ' CZ3' ' A' ' 44' ' ' TRP . 41.1 t -84.44 -32.63 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -41.16 93.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -59.99 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' CD2' HD13 ' A' ' 15' ' ' LEU . 21.7 t60 -65.38 -37.23 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.27 -50.54 67.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.961 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -43.85 93.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -71.11 -10.7 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.536 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mm -86.57 -58.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.551 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -59.17 -38.95 80.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.459 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -34.38 72.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.115 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 ' HB3' ' CZ2' ' A' ' 26' ' ' TRP . 31.9 mt -93.6 -52.05 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.35 -29.94 49.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.213 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.91 -29.8 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.68 -28.41 55.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.286 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -94.25 -57.88 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -51.86 67.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 t70 69.75 -65.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.88 138.13 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -73.45 106.05 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.18 140.01 47.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -155.96 81.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -115.46 68.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.07 125.01 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t 63.17 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -138.79 -64.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -144.17 -58.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -125.13 -60.78 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.935 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.07 138.01 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.72 107.91 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -125.21 104.84 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 138.99 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -100.76 171.62 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -144.16 -47.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.84 85.48 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 t -70.12 111.4 9.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.54 148.76 92.85 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -98.88 -30.71 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.48 61.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.38 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.0 t -58.77 -32.58 69.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.0 mm -102.32 -32.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mp -70.46 -30.12 66.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -67.06 -29.79 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.99 -31.24 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.35 -28.92 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -70.02 -22.03 63.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.305 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 t -90.94 -56.34 3.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -57.33 -25.29 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.516 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -75.75 -41.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.334 . . . . 0.0 111.258 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -77.58 -28.79 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -65.16 -45.98 82.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.073 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -34.28 77.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.414 ' CE2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -63.6 -28.9 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.989 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -21.32 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 2.4 mm? -83.49 156.14 65.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -56.01 -59.68 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.744 2.296 . . . . 0.0 112.214 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -178.73 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -54.84 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.85 -33.06 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -51.55 -67.24 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -25.92 12.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.44 -30.26 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mp -86.54 -38.63 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.59 -27.13 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -78.35 -39.83 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.11 -39.23 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.17 -31.09 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -79.71 -31.31 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.64 -30.02 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -76.26 -37.11 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.401 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 70.4 m95 -96.19 42.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.02 139.6 20.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 -27.47 21.87 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.476 2.117 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.6 -42.88 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -101.55 45.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -149.7 165.23 18.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.89 -159.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.652 2.235 . . . . 0.0 112.248 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.66 59.58 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -123.13 101.14 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -94.63 -38.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.25 -48.71 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.49 -26.55 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.95 -41.85 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.17 -38.29 81.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.68 -41.02 85.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.401 HG22 ' CZ3' ' A' ' 44' ' ' TRP . 22.7 t -79.9 -31.03 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -67.64 -46.6 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 2.2 t60 -58.82 -30.08 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 tp -78.53 -60.74 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -54.48 -26.08 29.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.96 -27.82 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -78.24 -29.22 48.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.167 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.5 mt -65.29 -64.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.167 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -53.11 -25.22 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -63.11 -49.28 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' CE2' ' A' ' 26' ' ' TRP . 1.5 mt -92.67 -42.03 9.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -24.05 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -85.55 -48.3 9.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -72.31 -28.64 63.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.47 43.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -165.5 -61.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.84 90.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -136.24 -63.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 62.92 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.89 68.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.65 67.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 68.55 -67.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.52 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.62 -45.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.09 -66.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 63.79 139.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -75.32 -71.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 p -124.5 -57.42 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.928 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.801 0.334 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -122.36 36.84 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 75.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -131.27 6.36 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.465 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 67.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -165.9 171.64 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -149.41 137.33 20.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -134.9 150.82 50.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.52 142.21 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.61 104.69 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.494 2.129 . . . . 0.0 112.217 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -37.08 74.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.87 -72.79 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.577 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -174.9 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 28.1 mm 68.72 -69.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.95 -72.05 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 4.1 pttt -55.05 -24.26 24.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -67.28 -30.06 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.2 t -71.57 -37.23 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -81.13 -47.07 13.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.1 p -63.7 -43.43 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.28 -44.89 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.99 -31.17 68.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -72.0 -30.57 65.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.51 -36.55 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -27.12 49.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -57.25 -29.23 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.31 154.02 66.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -55.88 -73.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.42 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -165.11 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -49.35 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.49 -21.87 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -63.37 -52.46 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 111.1 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -61.71 -22.61 65.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.393 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -58.93 -31.21 68.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.096 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.1 mp -79.76 -48.45 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.061 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.3 mp -65.5 -26.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -77.3 -33.31 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.26 -34.05 59.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.42 -31.8 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -75.99 -31.89 59.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.6 mt -98.68 30.41 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.37 -42.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CD2' HG12 ' A' ' 59' ' ' VAL . 55.1 m95 -95.46 35.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.422 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 t-80 -91.68 142.36 26.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.776 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 47.0 Cg_endo -68.53 -26.84 33.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.45 2.1 . . . . 0.0 112.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.68 -30.9 46.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -106.76 39.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -143.26 163.36 37.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.84 -158.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.601 2.2 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -9.79 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.393 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -53.14 97.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -94.65 -30.55 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.14 -36.52 27.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.43 -48.47 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.227 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.05 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.19 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.69 -59.72 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 44' ' ' TRP . 21.4 t -60.32 -42.88 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.8 t80 -65.37 -35.41 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -29.84 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -91.98 -28.71 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.29 -57.48 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.443 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 7.3 mt-30 -57.23 -22.26 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.372 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.87 -22.06 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.359 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -28.61 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.302 . . . . 0.0 111.225 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.9 mt -67.28 -63.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.333 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -55.19 -30.58 60.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.06 -53.02 62.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.14 -44.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.53 -26.39 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -63.66 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -58.6 -32.9 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.34 -28.96 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.46 -35.81 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.75 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -77.38 93.77 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -151.06 -66.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.48 -37.19 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.29 -174.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -118.6 -72.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.86 120.72 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.49 158.28 18.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.0 m -117.63 -39.92 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 63.61 142.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -141.22 176.69 8.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 m 60.21 97.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.963 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -137.37 113.29 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -145.37 -48.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -149.7 76.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -149.49 131.48 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.81 31.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -93.94 143.79 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -139.97 -84.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 6.5 t -90.75 -47.99 0.36 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.647 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.476 ' HD3' ' HB ' ' A' ' 9' ' ' VAL . 94.5 Cg_endo -84.91 178.94 4.49 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.403 2.069 . . . . 0.0 112.493 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 77.38 1.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.08 -18.99 25.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 m 62.73 80.59 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.3 mm -134.18 -49.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.78 -42.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -59.56 -30.57 68.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -30.74 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.3 t -81.0 -27.13 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.252 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -77.62 -22.59 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.314 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -87.44 -37.83 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -78.8 -28.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.388 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.46 -34.18 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -28.48 34.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -71.39 -36.37 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.98 -34.77 78.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -25.71 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -58.68 -28.95 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.79 153.33 55.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -56.63 -75.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.789 2.326 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.55 -43.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m -54.78 -51.38 65.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -88.28 -22.71 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -53.34 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -58.74 -25.95 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -29.65 64.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 mp -90.13 -31.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD13 HG21 ' A' ' 37' ' ' ILE . 29.6 mm -76.88 -41.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -71.24 -33.97 70.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -56.45 21.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD11 ' CD1' ' A' ' 44' ' ' TRP . 4.0 mm? -68.14 -40.74 82.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.5 mt -97.32 -31.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -36.09 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.419 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.9 m95 -97.25 39.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.13 128.55 47.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.49 -39.17 83.17 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.234 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -33.77 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -74.45 -38.25 63.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.92 151.56 88.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 -62.01 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.555 2.17 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.68 90.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -138.88 86.28 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -6.97 58.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.427 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.32 -49.42 2.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.799 0.333 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.19 -33.16 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.72 -53.83 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.9 -39.05 68.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.05 -58.49 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -60.76 -34.82 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -40.11 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -81.11 -31.41 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -66.04 -33.6 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -83.21 -41.34 18.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -37.02 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -25.29 67.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.3 mm -64.93 -64.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.23 -28.47 27.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.04 -46.18 85.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.13 -35.02 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -17.91 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -92.33 -60.4 1.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.64 -30.59 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -97.35 45.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.51 -45.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -31.29 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.96 91.41 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.11 36.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -60.02 112.1 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.16 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.88 106.65 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -111.85 -52.46 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 59.87 109.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.66 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.73 128.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.43 119.99 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.4 m 66.47 -71.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 121.43 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 63.55 140.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -112.94 -172.92 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.1 m170 62.68 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 154.28 22.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -92.55 -53.31 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 62.59 119.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.6 m -136.0 97.49 12.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.75 128.73 22.12 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 97.3 6.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.42 -11.08 72.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.773 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.6 m 66.48 30.45 8.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HG21 ' CH2' ' A' ' 44' ' ' TRP . 28.3 mm -130.1 -44.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.73 -33.17 69.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.13 -30.95 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -88.2 -31.06 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 t -71.49 -31.2 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -72.14 -25.9 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -83.07 -43.01 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.029 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -69.28 -35.86 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.314 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -68.81 -45.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -62.9 -32.69 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.34 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.86 -18.28 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.474 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -93.56 22.79 5.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -111.59 -22.83 11.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 166.79 12.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.82 171.32 13.61 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.068 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -54.32 -24.2 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.87 -36.09 25.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.18 44.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -26.93 67.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.55 -34.32 72.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.138 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -51.76 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.239 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.2 -30.32 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.17 -29.98 69.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -40.65 65.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.39 -39.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.51 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -88.82 -40.91 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HD3' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.029 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.424 ' CD1' ' HD3' ' A' ' 43' ' ' LYS . 86.0 m95 -107.71 49.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -102.6 133.97 20.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.75 -26.68 45.19 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.421 2.081 . . . . 0.0 112.384 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.48 -26.22 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 33.47 4.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -106.11 151.7 40.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.19 -51.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.398 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.34 39.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.089 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -126.33 90.6 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -89.61 -31.19 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -35.89 50.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.1 mm -74.45 -39.11 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.37 79.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.28 -41.12 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.79 -45.54 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 t -71.81 -30.75 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -34.81 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -60.06 -53.76 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.97 -30.1 70.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -65.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -47.83 74.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -26.84 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.37 -24.61 39.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.77 -38.26 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.263 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.26 -29.93 24.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.1 -40.2 82.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.7 mt -85.76 -41.92 14.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.55 -30.56 71.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -54.83 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -57.14 -25.78 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.81 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.178 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -149.0 -46.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.16 73.4 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -136.94 106.37 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.02 -68.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 63.21 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.86 156.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -173.0 -71.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? 56.44 100.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.9 114.28 2.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.93 167.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 68.52 -67.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -102.95 118.08 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -111.58 -34.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.912 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.874 0.369 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -149.33 30.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 7' ' ' HIS . 8.6 m-70 -151.51 -178.53 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -156.99 -48.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -147.2 -66.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 170.91 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' HB3' ' CE1' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 60.87 158.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.78 139.54 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -122.29 122.75 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.25 149.32 63.61 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -66.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.24 -34.61 13.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.8 p 54.44 71.41 0.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.2 mm -139.04 -51.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -30.61 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.38 -31.97 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.52 -29.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.8 m -73.99 -24.77 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -81.84 -38.45 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -77.67 -34.11 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.342 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 p -69.75 -40.36 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 111.221 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -28.09 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -75.47 -37.67 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.93 85.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -43.59 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -58.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -55.91 158.53 6.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.81 173.01 8.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.487 2.125 . . . . 0.0 112.193 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.16 -19.35 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -54.17 -65.41 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.252 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -76.43 -40.21 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.005 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.9 ttp180 -46.71 -46.98 20.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -22.31 48.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -90.59 -32.43 16.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.253 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.73 -29.25 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -81.55 -30.04 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -59.21 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.34 -42.52 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.036 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.3 -32.78 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -37.01 68.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.428 ' CZ3' HG23 ' A' ' 59' ' ' VAL . 44.5 m95 -97.68 51.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.94 136.32 19.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.17 -35.86 6.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.393 2.062 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.9 -37.65 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.15 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -81.5 163.57 53.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.72 -159.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.225 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.48 71.33 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -112.82 103.58 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -93.79 -7.41 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.13 -46.15 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.33 -22.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 -27.44 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -43.59 13.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.183 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.428 HG23 ' CZ3' ' A' ' 44' ' ' TRP . 38.2 t -74.78 -39.37 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -38.57 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -60.28 -53.95 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -66.55 -33.14 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -62.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -43.58 96.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.37 -35.97 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.28 -25.45 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.9 mm -65.34 -64.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.35 -27.21 22.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -50.34 74.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.71 -40.82 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -22.53 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -83.8 -55.83 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -28.59 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.39 45.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -152.05 -44.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.009 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.3 mp -81.04 57.72 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 57.01 176.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -101.26 -47.79 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.56 130.98 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -121.75 -50.98 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 60.22 106.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.21 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.51 158.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.807 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -98.15 26.97 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.005 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.38 -169.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.8 t -82.91 91.36 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.957 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.848 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -142.24 134.21 27.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.37 118.87 31.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -131.62 161.83 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -108.21 -47.01 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -120.23 141.99 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -168.38 -49.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.84 -28.21 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.39 109.33 1.61 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.17 146.56 22.89 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.416 2.077 . . . . 0.0 112.422 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -137.91 -46.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.3 -27.42 10.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m 61.0 -175.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mm 70.02 -63.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.78 -29.82 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -68.35 -31.25 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.46 -31.27 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.18 -29.7 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -78.08 -25.08 47.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 m -84.09 -36.75 22.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.02 -33.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.7 p -66.02 -43.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -29.9 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.83 -32.12 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.32 -44.65 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ2' ' OE2' ' A' ' 71' ' ' GLU . 3.4 t-105 -55.42 -26.36 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.85 -29.87 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.62 154.27 73.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.81 -67.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.801 2.334 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -172.93 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -56.52 -49.19 75.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -91.62 -11.14 37.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.236 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -80.03 -51.38 9.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.364 . . . . 0.0 111.113 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -43.52 74.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -54.09 -24.27 16.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.396 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.11 -46.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.98 -32.59 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -65.25 -34.08 77.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -53.66 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.09 -43.87 94.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 41' ' ' TYR . 11.4 t80 -63.61 -26.66 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.99 -44.59 9.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.02 -26.25 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.279 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.441 ' CD1' ' HD2' ' A' ' 43' ' ' LYS . 78.3 m95 -97.29 42.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.428 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 t-80 -95.07 140.73 22.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 48.3 Cg_endo -68.75 -27.72 31.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.083 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.45 -30.47 61.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -98.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -131.02 130.15 22.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.84 -65.43 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.437 2.091 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -146.66 28.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -116.75 74.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 2.3 t-160 -93.23 -40.87 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.12 -38.87 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mt -75.17 -30.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.61 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -32.07 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.74 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.2 t -77.98 -29.79 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -43.87 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -59.17 -55.36 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.22 -30.02 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.1 -44.88 75.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.03 -34.88 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -34.89 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.47 -60.46 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -61.32 -27.22 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -57.24 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.1 -40.55 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' OE2' ' CZ2' ' A' ' 26' ' ' TRP . 1.3 tp10 -55.91 -27.83 53.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.58 -55.23 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.54 -22.97 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.16 -29.55 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.284 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -86.44 -52.46 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.135 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.27 -30.21 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.081 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.01 91.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -87.19 123.74 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -137.29 -177.3 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.61 96.5 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.64 -32.57 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 129.94 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -171.97 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -82.24 145.65 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -95.62 147.05 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.63 160.43 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.4 p -137.74 90.82 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.83 0.348 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -116.67 -39.88 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -60.05 -55.69 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -65.91 97.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.36 158.83 30.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -85.76 179.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -127.41 97.12 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.33 -177.75 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.67 88.33 2.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 119.25 6.25 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.98 -30.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.63 -8.42 46.06 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.6 m 62.52 103.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.2 mm -137.18 -60.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.3 mp -62.06 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -59.26 -30.3 68.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -81.4 -34.93 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.7 -30.5 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -72.4 -26.14 61.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -81.28 -43.31 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.26 -42.13 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 p -58.3 -45.1 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.165 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -67.98 -30.53 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -65.44 -27.99 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.27 -6.29 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.712 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 26.9 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.771 0.32 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -129.49 1.94 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.03 163.13 45.71 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.682 0.277 . . . . 0.0 110.971 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.39 172.08 2.13 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.691 2.261 . . . . 0.0 112.424 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.1 -24.86 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.284 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -53.32 -56.19 18.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -29.35 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -50.25 65.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.58 -11.98 60.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -80.35 -30.41 38.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.55 -42.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.336 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.45 -32.03 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -43.6 28.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -49.03 77.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.99 -47.4 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.01 -40.67 90.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.44 -37.29 51.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.05 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CZ3' HG23 ' A' ' 59' ' ' VAL . 39.8 m95 -94.4 46.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.427 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 t-80 -95.37 140.4 22.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 50.1 Cg_endo -69.09 -28.1 28.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.148 . . . . 0.0 112.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.27 -26.43 42.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 30.74 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.74 143.96 51.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.71 -59.74 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.492 2.128 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -149.49 80.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -142.35 82.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -84.97 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.6 -31.16 46.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.5 mt -67.66 -48.88 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.86 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.0 -35.07 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -42.33 73.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.989 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG23 ' CZ3' ' A' ' 44' ' ' TRP . 36.6 t -69.95 -29.96 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -43.84 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.18 -32.19 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.416 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.0 t60 -82.76 -36.54 25.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.6 -43.97 58.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -58.88 -43.44 90.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.54 -30.44 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.5 mt -71.68 -66.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.183 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -56.94 -24.08 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -66.16 -42.98 88.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.22 -37.82 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.6 -30.67 69.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -57.67 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -21.84 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.65 39.46 1.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.237 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -157.5 -45.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.03 78.92 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -106.44 31.19 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.66 -30.89 7.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.39 149.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.11 172.63 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -147.08 -47.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 60.2 31.75 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.37 135.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 p -84.98 -60.74 1.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.7 117.52 34.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.4 mtp85 -121.16 106.8 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -136.05 137.35 41.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.874 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.891 0.377 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.61 -59.17 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.95 85.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.33 31.44 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -85.53 -47.19 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.32 125.75 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.94 156.12 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.45 -46.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 p -127.64 110.37 20.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.56 93.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.37 2.047 . . . . 0.0 112.378 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -85.32 -37.29 20.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.59 -55.34 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.18 -168.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm 69.86 -64.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD13 ' CD2' ' A' ' 62' ' ' HIS . 3.3 mm? -57.35 -35.83 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.29 -31.08 69.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.06 -31.24 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 t -73.14 -35.5 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -76.46 -50.2 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.8 p -58.79 -44.89 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.8 p -68.35 -34.15 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.95 -36.26 81.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -79.93 -29.26 39.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.99 -13.45 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -95.5 23.16 6.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.676 0.274 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -124.21 0.59 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.397 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -127.07 158.93 67.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.74 166.12 3.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.716 2.277 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -57.5 -24.97 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.257 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -55.01 -48.27 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.3 -31.4 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -53.49 -53.05 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -58.47 -31.47 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -67.59 -49.3 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.8 mm -58.06 -27.19 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.421 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mm -88.28 -43.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.275 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.67 -41.38 81.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -52.7 62.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.04 -35.35 76.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.85 -39.23 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.54 34.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -139.25 -40.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.448 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 88.7 m95 -94.23 35.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.57 111.59 48.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -48.9 -37.36 36.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.505 2.137 . . . . 0.0 112.423 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -61.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.75 146.81 80.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 -62.53 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -159.38 92.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -170.16 76.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -6.84 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.444 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.1 -30.88 7.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.14 -35.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.34 -41.75 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -43.69 81.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.82 -51.07 71.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.448 ' CG2' ' CZ3' ' A' ' 44' ' ' TRP . 31.2 t -66.19 -32.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -48.03 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -59.25 -37.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.422 ' CD2' HD13 ' A' ' 15' ' ' LEU . 10.3 t60 -74.23 -36.24 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.01 -40.06 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -53.81 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.08 -30.83 69.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -62.63 -27.83 69.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.07 -68.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.91 -28.3 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mt -92.69 -38.71 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.088 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.83 -30.18 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -84.5 -47.74 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.36 -37.92 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.12 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.15 -57.09 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.1 -52.34 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.96 32.53 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.02 86.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -124.39 -44.25 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -118.63 -48.75 2.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.01 -55.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.05 144.16 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.2 -60.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -154.2 30.79 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -119.92 96.77 5.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -92.32 114.36 26.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.846 0.355 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.97 -64.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.97 -174.81 2.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -140.07 97.0 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -109.91 126.21 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -126.15 -44.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -129.39 54.61 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.33 -54.84 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 p -82.39 112.8 39.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.07 177.39 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -103.68 -43.14 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.4 28.03 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.406 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' LEU . 6.3 p 52.53 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.488 0.185 . . . . 0.0 111.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.7 mm 64.51 -73.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.727 0.298 . . . . 0.0 111.426 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 7.9 mp -58.89 -59.58 5.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -52.97 -25.64 12.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.992 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -79.71 -30.55 41.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.3 t -81.03 -31.11 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -66.24 -23.23 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.276 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -88.36 -51.91 5.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.18 -29.4 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.418 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -73.92 -43.24 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.358 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -76.21 -27.48 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.116 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.73 -38.21 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.68 -37.68 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -51.94 -25.64 8.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -58.11 -30.32 66.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.58 153.61 73.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.91 -62.41 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.722 2.282 . . . . 0.0 112.217 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.56 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -54.26 -48.03 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -92.83 -22.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -63.45 -53.31 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.215 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.64 32.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -60.37 -28.51 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.21 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.4 mp -97.11 -33.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.213 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 HD13 HG22 ' A' ' 37' ' ' ILE . 28.5 mm -78.99 -54.6 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -72.33 -59.8 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.49 -35.27 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -61.47 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.12 -31.45 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -94.26 45.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -106.35 140.4 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -37.54 10.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.233 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.32 -39.7 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -33.79 41.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -61.04 151.36 75.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 -57.07 2.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.523 2.149 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 81.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -137.77 106.02 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -92.82 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.56 -39.48 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.53 -46.93 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.27 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.08 -35.25 77.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.48 -49.41 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.74 -37.32 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -36.37 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -60.02 -43.29 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.16 -33.16 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.87 -58.51 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.67 -52.6 55.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.55 -26.46 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.14 -30.29 60.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.1 mt -65.85 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.13 -25.48 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -71.79 -51.55 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.09 -47.13 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.89 -29.39 59.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.91 -30.98 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.24 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -88.51 -29.49 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.36 48.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -94.68 -32.3 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 -43.31 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -92.87 99.52 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.11 -37.16 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.05 133.5 46.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -172.39 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.17 101.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -111.32 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -98.3 166.24 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.34 133.16 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.5 t -142.02 -48.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.874 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -117.71 175.76 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.68 164.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 30.45 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.78 103.23 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.84 169.47 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -149.52 -69.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tp -156.36 -49.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.37 100.58 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.36 150.84 7.46 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.511 2.141 . . . . 0.0 112.409 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -151.6 103.75 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.61 -1.93 85.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.851 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 61.16 32.63 19.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.2 mm -107.05 -41.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.19 -40.9 58.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.95 -38.39 82.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.72 -36.86 84.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.2 t -68.93 -28.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -76.41 -22.11 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -86.46 -44.15 12.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.723 0.297 . . . . 0.0 111.163 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.19 -32.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -67.12 -44.41 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.96 -27.69 65.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.07 -20.34 52.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.92 57.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.549 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -99.34 26.57 5.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.29 5.76 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.405 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.05 157.67 73.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.661 0.267 . . . . 0.0 110.938 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.4 174.5 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -57.93 -27.28 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.8 m -55.24 -41.78 72.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.89 -32.81 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.89 -39.88 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -9.13 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.43 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -93.31 -42.0 9.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.742 0.306 . . . . 0.0 111.098 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.05 -49.09 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.284 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.5 -45.58 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -61.31 -46.69 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -59.67 -44.36 93.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -74.42 -30.89 62.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 mt -86.62 -35.78 19.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -35.57 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -98.4 36.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -94.5 128.35 40.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.76 -35.06 95.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.55 2.166 . . . . 0.0 112.176 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -33.17 75.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -20.02 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -116.55 82.23 12.18 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.76 -27.44 77.91 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.666 2.244 . . . . 0.0 112.236 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.4 -67.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -89.8 85.15 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.88 -1.9 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.383 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.98 -31.33 8.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.46 -29.64 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.26 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.17 -42.0 94.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -63.25 -26.85 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 37.4 t -91.93 -26.43 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.37 70.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -63.42 -44.46 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -76.31 -31.02 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.48 -30.65 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.33 -45.63 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -30.37 68.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.009 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.5 -56.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -69.07 -22.87 63.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -68.5 -45.83 71.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.085 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.4 mt -88.59 -37.32 15.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.206 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -66.54 -24.9 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -92.58 -56.08 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.76 -45.36 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.98 -54.38 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.71 -44.91 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.07 59.41 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -119.9 -53.03 2.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -146.51 134.03 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -137.42 104.06 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.02 150.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.82 101.14 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 60.64 101.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.88 -175.42 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -125.86 147.2 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.1 -39.76 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.9 160.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.37 -68.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.745 0.307 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.05 160.51 31.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 61.18 105.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -31.98 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -106.57 -172.18 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -51.67 110.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.03 128.57 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 pp -161.02 150.28 16.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.82 93.55 29.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.24 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.22 -56.52 2.67 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.536 2.157 . . . . 0.0 112.232 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.74 92.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.7 -45.84 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.563 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.64 40.17 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.0 mm -115.94 -55.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -32.97 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -31.93 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 t -75.03 -28.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.4 m -70.66 -26.1 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -86.92 -47.53 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -65.93 -26.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.455 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.9 p -76.98 -40.24 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.35 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -26.91 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -28.15 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.078 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.9 -39.73 61.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.333 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -27.18 28.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -61.05 -28.26 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.74 153.8 64.56 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.18 -74.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -159.45 -43.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.104 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -51.8 -65.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -76.54 -18.15 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -66.94 -59.12 3.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 0.0 111.028 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -24.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.358 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -57.77 -36.86 72.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.207 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.54 -41.86 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.213 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.4 mp -72.99 -28.69 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -28.7 65.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -78.42 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.35 -35.23 71.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -72.25 -37.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.31 30.75 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.56 -42.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.43 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 73.9 m95 -95.53 38.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -89.25 118.61 69.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.71 -34.78 85.44 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.451 2.101 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.8 -34.24 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -105.92 46.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -143.18 134.92 12.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.0 -44.05 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.607 2.205 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.56 36.94 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -117.87 28.63 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -26.48 67.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.85 -33.91 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.008 0.433 . . . . 0.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -69.61 -30.91 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.14 -38.66 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -33.68 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.49 -44.7 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.43 ' CG2' ' CZ3' ' A' ' 44' ' ' TRP . 25.8 t -73.35 -30.5 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -31.98 73.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -68.12 -61.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -60.46 -30.2 69.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.32 -42.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.37 -44.81 18.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -29.79 64.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.013 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.16 -26.35 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.84 -68.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.63 -30.94 61.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -61.78 -48.19 81.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.2 mt -83.97 -46.09 12.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.5 -25.86 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -64.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.11 -28.31 66.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.987 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.41 41.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -139.16 -46.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -35.4 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.18 -164.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.761 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -98.01 -178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -156.3 -46.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.96 142.29 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -170.63 -176.16 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 -60.23 -31.88 70.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -76.34 101.22 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.5 t -81.93 152.43 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mtm105 -123.06 144.29 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.19 30.33 19.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -133.75 -65.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.914 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.798 0.332 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 154.61 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -167.35 34.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.51 112.02 5.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.79 32.99 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.22 102.49 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -115.78 93.58 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.16 165.27 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -149.09 146.16 20.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -51.34 141.95 38.88 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.528 2.152 . . . . 0.0 112.36 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 68.15 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 110.753 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.49 -58.76 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.0 t 61.07 19.66 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.9 mm -144.4 -54.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.044 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.5 mp -59.39 -31.74 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -30.09 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.06 -31.05 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.96 -32.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -67.22 -23.62 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -86.02 -45.91 11.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -67.97 -33.24 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -70.11 -44.53 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.28 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -65.77 -37.3 85.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.23 -28.43 68.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.01 -17.22 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -87.13 49.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 -41.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.85 156.24 26.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.72 -65.06 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.642 2.228 . . . . 0.0 112.302 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -173.85 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.084 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -54.84 -64.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -24.4 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.94 -68.09 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.131 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -25.45 16.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.32 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -64.86 -24.16 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.272 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.1 mm -82.51 -39.02 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.332 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.09 -44.04 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.086 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -26.11 63.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -51.65 8.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.61 -36.87 79.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.17 -30.17 71.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.87 -34.84 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -32.4 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -99.57 37.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -98.07 137.67 20.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.69 -41.12 3.31 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -29.77 69.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -99.51 40.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -140.68 165.2 31.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.07 -47.83 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.18 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.7 89.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 35.8 p-10 -153.22 60.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -5.72 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.448 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -111.83 -32.6 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.763 0.316 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.98 -54.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.03 88.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.39 -38.08 79.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.95 -47.07 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -71.02 -33.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -31.16 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -59.5 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.42 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.4 t60 -63.83 -33.49 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -41.57 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.66 -38.62 88.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -14.82 51.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.79 7.73 25.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.533 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.56 -53.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.08 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.67 -35.98 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.5 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -44.59 82.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -65.95 -34.16 77.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.03 24.43 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.54 29.79 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' NE2' ' A' ' 78' ' ' GLN . 3.4 t80 -151.67 -45.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.64 -49.07 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.48 -50.46 3.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.428 ' NE2' ' CD1' ' A' ' 75' ' ' PHE . 4.4 mt-30 60.12 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.99 169.19 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.03 149.75 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.27 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 142.55 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.47 102.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.33 -67.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -128.42 108.94 10.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -84.73 -45.6 12.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -65.78 155.22 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.79 0.329 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 61.57 60.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -62.16 170.43 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.52 160.62 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -100.39 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -89.56 178.57 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -157.59 125.07 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -144.51 113.79 6.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 3.3 t -83.75 -46.67 0.77 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.448 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 30.3 Cg_exo -61.64 166.16 12.26 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.411 2.074 . . . . 0.0 112.257 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -100.19 -45.76 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.36 37.44 1.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p 57.48 101.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mm -126.68 -62.11 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.35 -34.35 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -33.41 62.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.63 -31.77 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -68.71 -54.26 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -56.15 -30.28 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -69.52 -47.45 63.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -70.59 -30.49 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.0 t -70.03 -35.76 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.58 -31.03 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -77.1 -30.8 55.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.47 -35.5 58.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -54.89 -25.9 32.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -59.3 -29.68 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.5 153.38 76.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.63 -71.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -166.52 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -52.94 -54.46 34.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.58 -28.09 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -60.5 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.68 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -62.52 -30.38 71.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 mm -73.98 -45.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.61 -30.73 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -62.7 -37.6 87.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -52.35 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.07 -42.11 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.82 -31.4 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -97.35 -30.62 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -34.54 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -98.53 31.53 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -85.71 128.9 56.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -32.54 39.36 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.443 2.095 . . . . 0.0 112.233 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -30.78 69.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.09 -31.82 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.77 152.63 75.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.65 -62.17 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.21 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -176.44 111.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -177.03 86.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -13.35 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.04 -54.67 2.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.91 -32.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.43 -55.94 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.9 -31.33 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.17 -51.21 68.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.81 -30.76 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -39.07 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.63 -31.1 67.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -78.29 -29.65 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 -40.7 35.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -58.16 -64.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -29.27 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -27.91 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.9 mt -75.02 -69.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.296 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -53.61 -25.05 15.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -66.21 -44.54 83.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.5 mt -92.59 -35.4 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -73.16 -55.81 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -63.34 -26.11 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.86 41.02 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -164.16 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.66 92.09 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -118.56 -51.16 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 68.72 -67.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -89.8 83.67 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.66 -40.41 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.78 83.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.99 -47.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.61 141.26 14.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.44 165.32 12.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 116.48 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -96.2 134.39 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 t -143.33 144.73 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.899 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.877 0.37 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -137.14 -66.22 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -90.36 174.4 7.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -130.07 123.81 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 61.85 108.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 59.4 172.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -99.15 168.81 9.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.43 94.44 3.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 2.8 t -84.29 -47.17 0.71 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 30.1 Cg_exo -61.76 124.48 14.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.446 2.097 . . . . 0.0 112.227 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -118.72 33.91 5.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.88 48.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.83 -168.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.728 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.3 mm 69.83 -64.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.52 -38.41 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -61.77 -32.4 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.53 -31.81 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 t -65.03 -33.84 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -77.7 -27.24 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.5 m -79.51 -41.44 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.9 p -68.87 -40.61 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.67 -45.12 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.209 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.44 -32.75 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.36 -35.5 75.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.98 -5.17 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.53 21.76 8.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.775 0.322 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -118.56 -15.1 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.462 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.507 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -114.88 164.01 17.92 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.731 0.301 . . . . 0.0 110.787 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.77 170.0 2.96 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.539 2.159 . . . . 0.0 112.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.96 -24.35 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -53.66 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.57 -28.79 26.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -59.09 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -27.21 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -63.36 -42.04 98.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.207 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mm -71.81 -49.41 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.292 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.7 -29.57 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -53.8 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -59.63 -30.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.53 -42.62 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -66.52 -30.48 70.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -84.48 -47.3 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.89 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 60.4 m95 -97.81 51.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.02 120.08 41.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.93 -30.98 71.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.441 2.094 . . . . 0.0 112.271 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -34.91 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -79.39 -34.72 41.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.69 155.15 91.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.13 -61.84 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.604 2.203 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.95 104.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -166.92 109.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.19 -61.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -51.29 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.07 -41.27 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.49 -55.08 7.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.44 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -52.32 -38.99 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.246 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.08 -54.71 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.74 -36.87 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -60.32 -58.23 9.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.55 -37.81 85.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 tp -67.96 -51.5 46.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -64.42 -30.46 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -29.02 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -67.69 -29.34 68.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 8.5 mt -64.23 -68.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -56.24 -29.38 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -61.74 -41.84 98.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 72.7 mt -92.34 -35.95 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.7 92.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.18 -55.59 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 5.1 pt20 -57.77 -26.2 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.89 36.69 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.1 -46.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.88 75.45 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -149.86 72.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -147.95 -47.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -70.67 130.1 40.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.33 137.09 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.73 106.38 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -164.79 94.39 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -152.13 174.71 13.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.05 167.22 21.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.24 105.98 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.38 -61.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -109.85 35.55 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.12 157.73 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.62 112.77 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -156.72 -68.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -150.02 77.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -158.47 -60.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -88.02 114.08 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.75 170.4 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.9 t -89.24 138.93 28.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.36 -45.9 36.56 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.424 2.082 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.06 30.09 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.26 -106.29 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -169.17 103.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.422 HG23 ' CH2' ' A' ' 44' ' ' TRP . 30.4 mm -127.78 -67.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -64.67 -45.55 86.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.99 -30.64 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -67.05 -31.71 72.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.7 t -74.69 -27.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -75.73 -29.54 58.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -81.78 -39.19 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.0 m -68.72 -41.73 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.315 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -63.41 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -63.95 -35.59 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.64 -30.89 26.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.73 -22.62 66.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.44 21.08 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -111.81 -22.75 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.77 166.95 11.29 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.789 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.97 174.32 11.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -53.63 -24.95 15.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -59.82 -64.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.2 -35.69 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.85 -54.08 33.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -58.34 -25.75 62.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.326 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -77.91 -6.54 54.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.783 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 24.1 mm -95.66 -33.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.711 0.291 . . . . 0.0 111.385 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.39 -39.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.293 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -26.86 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.068 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -80.3 -46.79 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.189 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.76 -32.52 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -71.71 -34.28 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.01 29.28 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.05 -43.83 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.422 ' CH2' HG23 ' A' ' 14' ' ' ILE . 92.0 m95 -97.47 30.67 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -90.05 122.68 67.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.751 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.3 -37.12 80.64 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.479 2.12 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.95 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 39.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.008 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -130.87 151.21 78.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.42 -62.15 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 112.379 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -144.72 -43.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.191 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -53.21 90.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.94 -21.3 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.05 -56.01 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.968 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.0 mt -56.11 -25.53 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.02 -35.02 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -47.23 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.184 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.8 t -88.28 -35.19 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.4 t80 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -30.09 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.46 -33.61 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 71.7 mt-30 -53.41 -30.25 39.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.242 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.06 -35.79 28.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -60.48 -25.21 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.48 -67.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -54.86 -27.03 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -49.83 75.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.7 mt -89.32 -30.7 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.002 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.21 -29.99 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -82.71 -44.83 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.75 -29.66 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.9 40.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.059 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.11 -47.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -83.37 76.2 9.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -163.16 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 60.39 35.11 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.13 89.36 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.42 31.17 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.92 -75.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 59.06 175.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.32 61.45 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.65 -65.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 66.97 87.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 ptt85 -131.78 -45.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 p 61.28 153.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.928 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.815 0.34 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -89.83 145.14 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -148.24 -178.18 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m80 61.27 156.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.12 168.72 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -82.87 -177.33 6.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 m170 60.85 156.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mp -96.47 -177.1 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t 66.42 119.04 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -52.08 -35.73 63.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? 59.72 31.33 20.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.05 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.433 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.6 m -66.32 131.56 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mm -142.28 -46.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD12 ' CD2' ' A' ' 62' ' ' HIS . 3.5 mm? -64.15 -53.5 48.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.61 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.62 -40.07 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -67.81 -28.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.3 m -64.62 -25.16 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m -84.9 -47.68 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -67.72 -37.03 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.271 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.2 p -63.75 -44.66 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.135 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -69.87 -36.4 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.04 -15.77 63.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.71 -6.59 48.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.655 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -94.94 27.09 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.756 0.312 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 4.61 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.98 155.99 35.88 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.724 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.16 -61.87 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.531 2.154 . . . . 0.0 112.214 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -178.77 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.9 m -53.27 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.11 -25.98 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -56.88 -66.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -57.28 -22.46 41.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.315 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -67.83 -30.9 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.282 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 30.0 mm -68.37 -37.42 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.224 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mp -76.66 -32.97 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.06 -29.35 68.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -30.76 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.17 -30.89 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -72.39 -38.47 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.024 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -95.33 20.27 9.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 -40.55 1.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.417 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 71.7 m95 -96.08 25.08 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.413 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 7.9 t-80 -75.44 139.55 71.5 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 69.4 Cg_endo -74.35 -40.93 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.092 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.77 -30.69 70.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -85.05 -40.27 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -79.25 111.98 24.66 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.34 -43.29 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.424 2.083 . . . . 0.0 112.392 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.11 -59.71 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.6 81.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -81.94 -54.72 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.63 -33.67 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.795 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.85 -42.97 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.77 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -33.36 75.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.26 -52.89 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.417 HG22 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -69.62 -32.23 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.94 -40.72 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.84 76.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.007 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.426 ' CD2' HD12 ' A' ' 15' ' ' LEU . 15.5 t60 -66.37 -35.02 79.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.87 -62.11 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -59.7 -47.62 84.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -27.68 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -77.55 -10.84 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -81.54 -42.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -63.33 -37.99 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -31.23 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.3 mt -94.75 -46.77 6.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.38 -29.87 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -63.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.61 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.53 40.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -138.97 -47.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -61.56 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.75 137.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -102.92 97.28 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -121.86 150.42 41.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.34 174.02 10.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.86 109.2 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -167.42 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.39 116.38 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -60.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 164.43 32.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.46 166.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.897 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.16 131.32 47.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 59.27 25.91 14.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.79 30.11 15.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 127.45 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -114.99 154.69 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -96.39 164.81 12.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.93 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.46 100.32 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.5 179.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.543 2.162 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 -58.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.03 28.6 2.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m 59.74 37.93 21.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.8 mm -99.24 -43.54 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.24 -46.12 35.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -59.71 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -66.07 -38.25 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -71.93 -25.96 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -80.49 -20.65 43.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -87.32 -30.73 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.76 -37.44 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 p -63.12 -44.99 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.65 -28.18 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.75 -20.62 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.21 -10.5 35.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.58 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 26.59 3.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 111.285 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.77 8.8 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' HB3' ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -104.72 156.29 36.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.64 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 28' ' ' LEU . 10.8 Cg_endo -53.38 -63.28 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.537 2.158 . . . . 0.0 112.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.79 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.036 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -55.11 -65.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -24.69 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -57.88 -70.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -55.77 -23.52 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.415 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -63.26 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.139 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 35.8 mm -64.74 -42.9 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.187 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -80.42 -30.08 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.21 -30.33 71.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -47.27 14.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.65 -44.98 95.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -67.29 -31.83 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.09 34.47 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 -42.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.452 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 79.7 m95 -95.11 31.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -85.33 126.29 67.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.63 -23.48 74.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -34.73 61.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mmpp? -101.22 30.24 4.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -137.87 78.58 35.53 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.83 -27.78 85.72 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.697 2.265 . . . . 0.0 112.614 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.8 -48.03 3.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.37 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -84.81 61.06 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.398 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.72 -17.17 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.48 -39.06 17.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.5 mm -65.24 -43.33 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.16 -35.03 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -47.86 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.452 ' CG2' ' CZ3' ' A' ' 44' ' ' TRP . 25.2 t -70.4 -31.53 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -37.83 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.45 -40.92 88.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.37 -30.96 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.47 -29.07 68.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -91.0 -36.84 13.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.07 91.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.9 -27.58 68.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.36 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.29 -30.8 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -59.63 -46.59 88.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -87.14 -45.31 10.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.79 -29.01 58.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -59.93 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -57.17 -42.98 82.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.98 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -83.62 -45.27 13.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.04 -68.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.87 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -165.72 102.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -117.17 -54.55 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.5 140.57 19.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -66.54 93.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.12 101.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.95 126.26 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.4 p -165.23 142.55 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -141.26 138.65 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -46.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 t -151.22 132.66 14.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.4 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.723 0.296 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.7 mm? -82.09 -48.06 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -58.0 -28.18 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -37.63 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.0 t -71.09 -29.9 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -71.43 -23.29 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.214 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -86.53 -47.85 8.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.137 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.0 p -66.15 -28.25 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 p -73.92 -39.75 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.97 -29.33 61.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -29.91 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -82.76 -5.49 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.592 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CZ2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -93.09 20.88 6.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.642 0.258 . . . . 0.0 111.382 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -109.48 -28.89 8.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.01 155.77 90.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.45 -72.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -163.01 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.95 -24.59 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.72 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -56.01 -65.94 0.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -61.22 -25.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -58.25 -34.77 70.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.9 mm -70.3 -41.02 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.16 -30.71 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -31.53 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -48.29 57.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.63 -31.3 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -66.59 -30.61 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.97 -38.14 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -40.13 96.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.0 m95 -97.99 34.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 t-80 -89.28 140.83 28.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 41.9 Cg_endo -67.31 -36.48 20.71 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.468 2.112 . . . . 0.0 112.26 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.0 -30.72 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -32.3 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -59.7 145.1 84.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.46 -46.11 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.172 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -151.03 37.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -122.63 74.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.0 -50.55 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -41.73 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.98 -31.35 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 -45.1 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.3 -31.54 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -57.16 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -61.07 -31.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -38.99 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -59.71 -39.37 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -77.3 -29.49 53.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 tp -76.07 -44.07 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.678 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.0 -51.56 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.07 -26.4 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -70.31 -25.57 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.395 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.4 mt -78.18 -68.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.499 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -32.89 50.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.353 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -59.89 -42.52 93.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 95.5 mt -92.43 -30.71 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.7 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.125 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -83.01 -45.87 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.43 64.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.751 0.31 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.5 mm? -54.76 -29.66 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -31.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.37 -35.6 54.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -65.81 -28.02 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -70.11 -20.25 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.276 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -87.66 -46.48 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.707 0.289 . . . . 0.0 111.164 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.13 -37.62 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.364 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.5 p -62.25 -45.03 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.357 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.1 pt-20 -70.76 -28.12 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.154 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -85.67 -32.34 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.007 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.247 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.15 -26.94 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.46 -29.14 63.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.37 153.63 59.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.69 -70.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 12.9 pt-20 -167.24 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -53.6 -54.76 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.77 -17.53 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.622 ' HD2' HD13 ' A' ' 37' ' ' ILE . 7.1 tmm_? -68.76 -53.04 24.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.72 25.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.547 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -63.05 -23.51 67.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.409 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 36' ' ' ILE . 4.0 mp -92.74 -32.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.399 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.622 HD13 ' HD2' ' A' ' 33' ' ' ARG . 4.3 mp -86.26 -39.75 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -68.85 -31.09 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -70.87 -47.33 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.66 -30.52 64.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -70.26 -39.11 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.3 20.72 10.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.221 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.76 -33.86 2.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.685 ' CH2' HG21 ' A' ' 59' ' ' VAL . 46.3 m95 -95.54 36.12 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -81.1 123.83 81.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.668 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.7 -46.16 35.75 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.434 2.089 . . . . 0.0 112.327 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -46.88 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.1 -31.99 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -74.34 152.49 87.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.77 -62.55 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.221 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -160.06 106.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 55' ' ' ILE . 44.3 p-10 -177.72 97.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -94.75 -14.2 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.03 -43.0 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.063 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' ASN . 4.3 mt -64.05 -43.8 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.57 66.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.2 -38.82 87.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.27 -51.4 69.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.081 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.685 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.6 t -68.68 -32.02 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.234 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -36.89 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.15 -38.81 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OE2' ' A' ' 66' ' ' GLU . 18.5 t60 -83.16 -36.72 24.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.14 -36.38 77.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -80.9 -35.94 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.73 -30.75 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 62' ' ' HIS . 62.0 mt-10 -66.7 -28.45 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.04 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.99 -67.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -28.08 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -59.31 -45.28 91.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 26' ' ' TRP . 81.0 mt -93.14 -37.71 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -25.78 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -84.48 -56.86 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -29.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.245 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.5 mm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.2 mm? -65.38 -30.84 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.47 -27.54 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.17 -31.18 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 14' ' ' ILE . 22.0 t -67.45 -29.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -76.9 -22.93 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -87.46 -42.49 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 111.179 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.96 -28.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.354 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -72.52 -44.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.225 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 21.8 pt-20 -70.45 -34.1 72.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.74 -29.33 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -71.8 -42.88 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.242 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -50.19 -27.13 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.385 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -58.11 -27.77 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -85.18 154.17 60.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.57 -74.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 1.4 pt-20 -162.88 -43.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -59.94 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.0 tt0 -79.51 -26.93 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -57.87 -58.55 7.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -55.9 -22.33 25.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -24.75 67.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.276 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.78 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.8 mp -91.85 -34.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.235 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.6 mp -83.26 -29.7 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.143 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -76.5 -39.28 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -74.52 -37.46 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 36' ' ' ILE . 3.5 mm? -64.56 -45.32 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.26 -42.48 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.87 -31.45 45.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -29.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.694 ' CD2' HG11 ' A' ' 59' ' ' VAL . 57.0 m95 -96.86 39.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -101.48 139.52 20.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.89 -44.35 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.489 2.126 . . . . 0.0 112.37 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.1 32.95 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -140.33 153.94 69.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.47 -64.21 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 112.371 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -160.0 108.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -177.62 93.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -92.32 -56.4 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.22 -37.78 75.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.1 mt -73.08 -47.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.55 67.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.92 -52.18 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.78 -29.78 60.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.197 -179.741 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 55' ' ' ILE . 41.1 t -84.44 -32.63 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -41.16 93.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -59.99 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CD2' HD12 ' A' ' 15' ' ' LEU . 21.7 t60 -65.38 -37.23 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.27 -50.54 67.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.961 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -43.85 93.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' OE1' HG12 ' A' ' 18' ' ' VAL . 6.1 mt-10 -71.11 -10.7 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.536 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mm -86.57 -58.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.551 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -59.17 -38.95 80.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.459 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -59.58 -34.38 72.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.115 -179.622 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 26' ' ' TRP . 31.9 mt -93.6 -52.05 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.35 -29.94 49.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.213 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.91 -29.8 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.286 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.338 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mp -70.46 -30.12 66.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -67.06 -29.79 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.99 -31.24 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.1 t -72.35 -28.92 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -70.02 -22.03 63.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.305 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 t -90.94 -56.34 3.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 18' ' ' VAL . 9.9 p -57.33 -25.29 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.516 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -75.75 -41.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.334 . . . . 0.0 111.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 22' ' ' VAL . 5.2 pt-20 -77.58 -28.79 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -65.16 -45.98 82.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.073 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -63.21 -34.28 77.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.566 ' HH2' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -63.6 -28.9 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.989 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -21.32 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 25' ' ' ALA . 2.4 mm? -83.49 156.14 65.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -56.01 -59.68 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.744 2.296 . . . . 0.0 112.214 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -178.73 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -54.84 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.733 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -72.85 -33.06 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 37' ' ' ILE . 30.9 ttp180 -51.55 -67.24 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -25.92 12.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.44 -30.26 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -86.54 -38.63 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 33' ' ' ARG . 5.0 mp -71.59 -27.13 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -78.35 -39.83 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.11 -39.23 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.2 mm? -69.17 -31.09 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -79.71 -31.31 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.64 -30.02 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -76.26 -37.11 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 70.4 m95 -96.19 42.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.02 139.6 20.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 -27.47 21.87 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.476 2.117 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.6 -42.88 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -101.55 45.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -149.7 165.23 18.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.89 -159.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.652 2.235 . . . . 0.0 112.248 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.66 59.58 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -123.13 101.14 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -94.63 -38.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.25 -48.71 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.49 -26.55 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.95 -41.85 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.17 -38.29 81.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.68 -41.02 85.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 22.7 t -79.9 -31.03 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -67.64 -46.6 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 2.2 t60 -58.82 -30.08 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 tp -78.53 -60.74 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.86 ' HA ' HD12 ' A' ' 67' ' ' ILE . 29.5 mt-30 -54.48 -26.08 29.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.96 -27.82 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB3' HG21 ' A' ' 22' ' ' VAL . 4.2 mm-40 -78.24 -29.22 48.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.5 mt -65.29 -64.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.167 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -53.11 -25.22 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -63.11 -49.28 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 26' ' ' TRP . 1.5 mt -92.67 -42.03 9.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -24.05 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -85.55 -48.3 9.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 74' ' ' ALA . 3.5 pp0? -72.31 -28.64 63.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.798 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.1 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.738 0.304 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.95 -72.05 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -55.05 -24.26 24.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -67.28 -30.06 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 14' ' ' ILE . 16.2 t -71.57 -37.23 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -81.13 -47.07 13.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG22 ' CG2' ' A' ' 36' ' ' ILE . 9.1 p -63.7 -43.43 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.6 p -59.28 -44.89 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.9 pt-20 -69.99 -31.17 68.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -72.0 -30.57 65.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.51 -36.55 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -27.12 49.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -57.25 -29.23 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.31 154.02 66.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -55.88 -73.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.42 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -165.11 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -49.35 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.49 -21.87 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.2 ttm180 -63.37 -52.46 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -61.71 -22.61 65.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.393 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -58.93 -31.21 68.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.096 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.532 HD12 ' N ' ' A' ' 36' ' ' ILE . 4.1 mp -79.76 -48.45 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.606 HD12 ' H ' ' A' ' 37' ' ' ILE . 5.3 mp -65.5 -26.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HG2' HD12 ' A' ' 42' ' ' LEU . 1.3 ttp85 -77.3 -33.31 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.26 -34.05 59.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 63' ' ' LEU . 4.2 mm? -81.42 -31.8 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -75.99 -31.89 59.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 38' ' ' ARG . 37.6 mt -98.68 30.41 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.37 -42.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.7 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.1 m95 -95.46 35.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.431 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 t-80 -91.68 142.36 26.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.776 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 47.0 Cg_endo -68.53 -26.84 33.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.45 2.1 . . . . 0.0 112.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.68 -30.9 46.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -106.76 39.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -143.26 163.36 37.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.84 -158.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.601 2.2 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -9.79 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.393 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -53.14 97.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -94.65 -30.55 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.14 -36.52 27.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.43 -48.47 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.227 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.05 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.19 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.69 -59.72 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.7 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -60.32 -42.88 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.37 -35.41 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -29.84 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -91.98 -28.71 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 40' ' ' LEU . 1.2 tt -77.29 -57.48 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 67' ' ' ILE . 24.4 mt-30 -57.23 -22.26 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.372 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.87 -22.06 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.359 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -28.61 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.302 . . . . 0.0 111.225 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 64' ' ' GLN . 10.9 mt -67.28 -63.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.333 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -55.19 -30.58 60.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.06 -53.02 62.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.14 -44.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.53 -26.39 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -63.66 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -58.6 -32.9 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.229 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 mm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.746 0.307 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -71.78 -42.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -59.56 -30.57 68.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -30.74 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.3 t -81.0 -27.13 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.252 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -77.62 -22.59 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.314 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -87.44 -37.83 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -78.8 -28.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.388 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.46 -34.18 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -28.48 34.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -71.39 -36.37 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -65.98 -34.77 78.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -25.71 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -58.68 -28.95 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -86.79 153.33 55.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -56.63 -75.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.789 2.326 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.55 -43.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m -54.78 -51.38 65.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 42.8 mt-10 -88.28 -22.71 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -53.34 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -58.74 -25.95 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -29.65 64.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.5 mp -90.13 -31.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.6 mm -76.88 -41.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -71.24 -33.97 70.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -56.45 21.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.14 -40.74 82.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.5 mt -97.32 -31.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -36.09 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.9 m95 -97.25 39.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.13 128.55 47.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.49 -39.17 83.17 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.234 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -33.77 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -74.45 -38.25 63.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.92 151.56 88.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 -62.01 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.555 2.17 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.68 90.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.645 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 19.2 p-10 -138.88 86.28 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -6.97 58.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.427 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.32 -49.42 2.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.799 0.333 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.6 mt -60.19 -33.16 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.645 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -77.72 -53.83 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.9 -39.05 68.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.05 -58.49 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.764 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -60.76 -34.82 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -40.11 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -81.11 -31.41 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -66.04 -33.6 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -83.21 -41.34 18.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -37.02 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -25.29 67.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.3 mm -64.93 -64.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.23 -28.47 27.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.04 -46.18 85.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 73.7 mt -93.13 -35.02 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -17.91 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -92.33 -60.4 1.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.64 -30.59 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.3 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.784 0.325 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.73 -33.17 69.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.13 -30.95 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -88.2 -31.06 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -71.49 -31.2 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -72.14 -25.9 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -83.07 -43.01 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.029 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -69.28 -35.86 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.314 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG11 ' OE2' ' A' ' 66' ' ' GLU . 11.7 p -68.81 -45.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' HG13 ' A' ' 22' ' ' VAL . 10.3 pt-20 -62.9 -32.69 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.34 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -71.86 -18.28 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.474 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -93.56 22.79 5.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -111.59 -22.83 11.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 166.79 12.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.82 171.32 13.61 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.068 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -54.32 -24.2 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.87 -36.09 25.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.18 44.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -26.93 67.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.55 -34.32 72.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.138 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 25' ' ' ALA . 27.1 mm -68.43 -51.76 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.239 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.2 -30.32 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.17 -29.98 69.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -40.65 65.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.39 -39.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.51 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -88.82 -40.91 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD3' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.029 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 86.0 m95 -107.71 49.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -102.6 133.97 20.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.75 -26.68 45.19 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.421 2.081 . . . . 0.0 112.384 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.48 -26.22 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 33.47 4.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -106.11 151.7 40.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.19 -51.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.398 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.34 39.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.089 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -126.33 90.6 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -89.61 -31.19 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -35.89 50.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.1 mm -74.45 -39.11 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.37 79.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.28 -41.12 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.79 -45.54 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' ILE . 28.9 t -71.81 -30.75 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -34.81 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -60.06 -53.76 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -61.97 -30.1 70.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -65.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -47.83 74.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -26.84 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' OE2' HG11 ' A' ' 22' ' ' VAL . 5.1 mt-10 -80.37 -24.61 39.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.77 -38.26 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.263 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.26 -29.93 24.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.1 -40.2 82.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.7 mt -85.76 -41.92 14.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.55 -30.56 71.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -54.83 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -57.14 -25.78 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.178 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.2 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -30.61 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.38 -31.97 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.5 t -68.52 -29.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.8 m -73.99 -24.77 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -81.84 -38.45 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -77.67 -34.11 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.342 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.8 p -69.75 -40.36 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 111.221 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.35 -28.09 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -75.47 -37.67 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.93 85.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -43.59 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -58.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.91 158.53 6.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.81 173.01 8.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.487 2.125 . . . . 0.0 112.193 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.16 -19.35 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -54.17 -65.41 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.252 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HB2' HD13 ' A' ' 28' ' ' LEU . 2.5 mt-10 -76.43 -40.21 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.9 ttp180 -46.71 -46.98 20.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -22.31 48.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -90.59 -32.43 16.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.253 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.73 -29.25 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -81.55 -30.04 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -59.21 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.34 -42.52 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.036 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.3 -32.78 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -37.01 68.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 44.5 m95 -97.68 51.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.94 136.32 19.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.17 -35.86 6.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.393 2.062 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.9 -37.65 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.15 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -81.5 163.57 53.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.72 -159.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.225 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.48 71.33 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -112.82 103.58 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 -7.41 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.13 -46.15 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.33 -22.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 -27.44 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -43.59 13.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.183 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 38.2 t -74.78 -39.37 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -38.57 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -60.28 -53.95 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -66.55 -33.14 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -62.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -43.58 96.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.37 -35.97 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.28 -25.45 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.9 mm -65.34 -64.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.35 -27.21 22.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -50.34 74.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.71 -40.82 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -22.53 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -83.8 -55.83 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -28.59 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.693 0.282 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.78 -29.82 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -68.35 -31.25 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.46 -31.27 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.18 -29.7 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -78.08 -25.08 47.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 m -84.09 -36.75 22.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.02 -33.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.7 p -66.02 -43.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.06 -29.9 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.83 -32.12 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -79.32 -44.65 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ2' ' OE2' ' A' ' 71' ' ' GLU . 3.4 t-105 -55.42 -26.36 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.85 -29.87 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -80.62 154.27 73.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.81 -67.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.801 2.334 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -172.93 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -56.52 -49.19 75.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.2 mt-10 -91.62 -11.14 37.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.236 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 6.6 tmm_? -80.03 -51.38 9.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.364 . . . . 0.0 111.113 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -43.52 74.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -54.09 -24.27 16.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.396 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 25' ' ' ALA . 11.4 mm -81.11 -46.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.98 -32.59 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -65.25 -34.08 77.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -53.66 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 63' ' ' LEU . 3.8 mm? -64.09 -43.87 94.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 41' ' ' TYR . 11.4 t80 -63.61 -26.66 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.99 -44.59 9.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.02 -26.25 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.279 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 43' ' ' LYS . 78.3 m95 -97.29 42.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 t-80 -95.07 140.73 22.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 48.3 Cg_endo -68.75 -27.72 31.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.083 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.45 -30.47 61.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -98.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -131.02 130.15 22.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.84 -65.43 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.437 2.091 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -146.66 28.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -116.75 74.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 2.3 t-160 -93.23 -40.87 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.12 -38.87 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.2 mt -75.17 -30.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.61 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -32.07 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.74 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ILE . 34.2 t -77.98 -29.79 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -43.87 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -59.17 -55.36 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.22 -30.02 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.1 -44.88 75.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.03 -34.88 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -34.89 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.47 -60.46 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -61.32 -27.22 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -57.24 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.1 -40.55 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' OE2' ' CZ2' ' A' ' 26' ' ' TRP . 1.3 tp10 -55.91 -27.83 53.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.58 -55.23 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.54 -22.97 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.284 -179.724 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.2 mm . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.3 mp -62.06 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -59.26 -30.3 68.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -81.4 -34.93 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.3 t -64.7 -30.5 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -72.4 -26.14 61.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -81.28 -43.31 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 22' ' ' VAL . 9.3 p -69.26 -42.13 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.4 p -58.3 -45.1 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.165 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.7 pt-20 -67.98 -30.53 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.593 ' O ' HD11 ' A' ' 28' ' ' LEU . 4.4 mm-40 -65.44 -27.99 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.27 -6.29 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.712 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 26.9 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.771 0.32 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' HD13 ' A' ' 28' ' ' LEU . 43.9 mmtt -129.49 1.94 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.03 163.13 45.71 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.682 0.277 . . . . 0.0 110.971 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.39 172.08 2.13 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.691 2.261 . . . . 0.0 112.424 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.1 -24.86 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.284 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -53.32 -56.19 18.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -29.35 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -50.25 65.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.58 -11.98 60.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -80.35 -30.41 38.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.55 -42.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.336 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.45 -32.03 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -43.6 28.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -49.03 77.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.99 -47.4 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.01 -40.67 90.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.44 -37.29 51.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.05 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 39.8 m95 -94.4 46.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.434 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 t-80 -95.37 140.4 22.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 50.1 Cg_endo -69.09 -28.1 28.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.148 . . . . 0.0 112.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.27 -26.43 42.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 30.74 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.74 143.96 51.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.71 -59.74 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.492 2.128 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -149.49 80.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -142.35 82.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -84.97 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.6 -31.16 46.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.5 mt -67.66 -48.88 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.86 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.0 -35.07 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -42.33 73.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.989 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 55' ' ' ILE . 36.6 t -69.95 -29.96 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -43.84 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.18 -32.19 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -82.76 -36.54 25.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.6 -43.97 58.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.794 ' HA ' HD12 ' A' ' 67' ' ' ILE . 4.7 tt0 -58.88 -43.44 90.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.54 -30.44 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.5 mt -71.68 -66.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -56.94 -24.08 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -66.16 -42.98 88.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.22 -37.82 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.6 -30.67 69.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -57.67 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -21.84 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.237 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.7 0.285 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' H ' HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -57.35 -35.83 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.29 -31.08 69.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.06 -31.24 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 22' ' ' VAL . 32.9 t -73.14 -35.5 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -76.46 -50.2 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 22' ' ' VAL . 10.8 p -58.79 -44.89 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.8 p -68.35 -34.15 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.95 -36.26 81.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -79.93 -29.26 39.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -66.99 -13.45 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -95.5 23.16 6.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.676 0.274 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -124.21 0.59 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.397 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -127.07 158.93 67.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.74 166.12 3.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.716 2.277 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -57.5 -24.97 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.257 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -55.01 -48.27 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.3 -31.4 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -53.49 -53.05 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -58.47 -31.47 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -67.59 -49.3 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 25' ' ' ALA . 21.8 mm -58.06 -27.19 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.421 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mm -88.28 -43.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.275 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.67 -41.38 81.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -52.7 62.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.04 -35.35 76.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.85 -39.23 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.54 34.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -139.25 -40.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.942 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 88.7 m95 -94.23 35.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.57 111.59 48.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 72.0 Cg_exo -48.9 -37.36 36.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.505 2.137 . . . . 0.0 112.423 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -61.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.75 146.81 80.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 -62.53 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -159.38 92.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -170.16 76.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -6.84 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.444 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.1 -30.88 7.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.14 -35.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . . . -77.34 -41.75 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -43.69 81.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.82 -51.07 71.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.942 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.2 t -66.19 -32.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -48.03 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -59.25 -37.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -74.23 -36.24 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.01 -40.06 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -53.81 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.08 -30.83 69.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG11 ' A' ' 22' ' ' VAL . 4.1 mm-40 -62.63 -27.83 69.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.07 -68.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.91 -28.3 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.8 mt -92.69 -38.71 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.088 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.83 -30.18 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -84.5 -47.74 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.36 -37.92 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.877 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.7 mm . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.727 0.298 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.89 -59.58 5.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -52.97 -25.64 12.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.992 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -79.71 -30.55 41.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 14' ' ' ILE . 11.3 t -81.03 -31.11 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -66.24 -23.23 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.276 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -88.36 -51.91 5.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.6 p -58.18 -29.4 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.418 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -73.92 -43.24 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.358 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.2 pt-20 -76.21 -27.48 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.73 -38.21 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.68 -37.68 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -51.94 -25.64 8.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -58.11 -30.32 66.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -80.58 153.61 73.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.91 -62.41 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.722 2.282 . . . . 0.0 112.217 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.56 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -54.26 -48.03 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 36' ' ' ILE . 51.2 mt-10 -92.83 -22.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -63.45 -53.31 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.215 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.64 32.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -60.37 -28.51 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.21 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.4 mp -97.11 -33.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.213 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.5 mm -78.99 -54.6 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -72.33 -59.8 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.1 mm? -62.49 -35.27 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -61.47 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.12 -31.45 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.735 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.1 m95 -94.26 45.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -106.35 140.4 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -37.54 10.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.233 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.32 -39.7 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -33.79 41.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -61.04 151.36 75.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 -57.07 2.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.523 2.149 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 81.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -137.77 106.02 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -92.82 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.56 -39.48 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.53 -46.93 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.27 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.08 -35.25 77.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.48 -49.41 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.735 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -67.74 -37.32 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -36.37 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -60.02 -43.29 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.16 -33.16 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.87 -58.51 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.67 -52.6 55.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.55 -26.46 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.14 -30.29 60.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.1 mt -65.85 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.13 -25.48 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -71.79 -51.55 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.09 -47.13 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.89 -29.39 59.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.91 -30.98 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.2 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.19 -40.9 58.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.95 -38.39 82.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.72 -36.86 84.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.2 t -68.93 -28.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -76.41 -22.11 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -86.46 -44.15 12.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.723 0.297 . . . . 0.0 111.163 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.19 -32.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -67.12 -44.41 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -68.96 -27.69 65.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.07 -20.34 52.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -89.33 -5.92 57.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.549 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -99.34 26.57 5.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HE3' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -130.29 5.76 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.405 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -128.05 157.67 73.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.661 0.267 . . . . 0.0 110.938 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.4 174.5 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -57.93 -27.28 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.8 m -55.24 -41.78 72.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.89 -32.81 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.89 -39.88 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -9.13 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.43 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -93.31 -42.0 9.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.742 0.306 . . . . 0.0 111.098 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.8 mm -69.05 -49.09 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.284 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.5 -45.58 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -61.31 -46.69 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -59.67 -44.36 93.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.1 mm? -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -74.42 -30.89 62.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 mt -86.62 -35.78 19.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -35.57 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 82.5 m95 -98.4 36.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -94.5 128.35 40.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.76 -35.06 95.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.55 2.166 . . . . 0.0 112.176 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -33.17 75.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -20.02 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -116.55 82.23 12.18 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.76 -27.44 77.91 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.666 2.244 . . . . 0.0 112.236 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.4 -67.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -89.8 85.15 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -1.9 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.383 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.98 -31.33 8.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.46 -29.64 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.26 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.17 -42.0 94.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' HG3' HG23 ' A' ' 59' ' ' VAL . 2.4 pt-20 -63.25 -26.85 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.692 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 37.4 t -91.93 -26.43 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.37 70.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -63.42 -44.46 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -76.31 -31.02 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.48 -30.65 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.33 -45.63 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -30.37 68.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.009 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.5 -56.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -69.07 -22.87 63.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -68.5 -45.83 71.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.085 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 78.4 mt -88.59 -37.32 15.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.206 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -66.54 -24.9 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -92.58 -56.08 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.76 -45.36 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -32.97 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -31.93 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -75.03 -28.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.4 m -70.66 -26.1 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -86.92 -47.53 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -65.93 -26.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.455 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -76.98 -40.24 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.35 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -26.91 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.84 -28.15 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.078 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -74.9 -39.73 61.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.333 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -27.18 28.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -61.05 -28.26 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.74 153.8 64.56 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.18 -74.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 6.5 pt-20 -159.45 -43.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -51.8 -65.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.5 mt-10 -76.54 -18.15 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.509 ' O ' HD12 ' A' ' 37' ' ' ILE . 4.3 ttt180 -66.94 -59.12 3.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 0.0 111.028 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -24.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.358 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -57.77 -36.86 72.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.207 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -76.54 -41.86 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.213 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.587 HD12 ' H ' ' A' ' 37' ' ' ILE . 5.4 mp -72.99 -28.69 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -28.7 65.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -78.42 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.2 mm? -58.35 -35.23 71.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -72.25 -37.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.31 30.75 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.56 -42.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.902 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 73.9 m95 -95.53 38.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -89.25 118.61 69.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.71 -34.78 85.44 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.451 2.101 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.8 -34.24 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -105.92 46.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -143.18 134.92 12.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.0 -44.05 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.607 2.205 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.56 36.94 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.421 HD22 ' HB2' ' A' ' 56' ' ' ALA . 1.2 t30 -117.87 28.63 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -66.22 -26.48 67.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.85 -33.91 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.008 0.433 . . . . 0.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -69.61 -30.91 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HB2' HD22 ' A' ' 52' ' ' ASN . . . -85.14 -38.66 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -33.68 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.49 -44.7 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.902 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.8 t -73.35 -30.5 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -31.98 73.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -68.12 -61.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -60.46 -30.2 69.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.32 -42.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.37 -44.81 18.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -29.79 64.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.013 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -74.16 -26.35 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.84 -68.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.63 -30.94 61.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -61.78 -48.19 81.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.2 mt -83.97 -46.09 12.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.5 -25.86 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -64.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.11 -28.31 66.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.987 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.631 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.9 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.5 mp -59.39 -31.74 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -30.09 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.06 -31.05 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.4 t -71.96 -32.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -67.22 -23.62 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -86.02 -45.91 11.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.9 p -67.97 -33.24 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.359 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.7 p -70.11 -44.53 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.28 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.8 pt-20 -65.77 -37.3 85.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.23 -28.43 68.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.01 -17.22 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -87.13 49.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 0.0 111.004 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 -41.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.85 156.24 26.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.72 -65.06 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.642 2.228 . . . . 0.0 112.302 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -173.85 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.084 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -54.84 -64.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -24.4 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.94 -68.09 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.131 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -25.45 16.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.32 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -64.86 -24.16 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.272 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 25' ' ' ALA . 17.1 mm -82.51 -39.02 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.332 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 37' ' ' ILE . 4.6 mp -81.09 -44.04 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.086 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -26.11 63.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -51.65 8.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.61 -36.87 79.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.17 -30.17 71.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.87 -34.84 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -32.4 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.9 m95 -99.57 37.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -98.07 137.67 20.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.69 -41.12 3.31 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -29.77 69.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -99.51 40.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -140.68 165.2 31.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.07 -47.83 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.18 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.7 89.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 35.8 p-10 -153.22 60.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -5.72 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.448 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -111.83 -32.6 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.763 0.316 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.98 -54.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -58.33 -45.03 88.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -59.39 -38.08 79.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.95 -47.07 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -71.02 -33.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -31.16 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -59.5 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -63.83 -33.49 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -41.57 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.66 -38.62 88.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -14.82 51.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.79 7.73 25.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.533 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.56 -53.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.08 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HB3' ' NE1' ' A' ' 26' ' ' TRP . 91.1 mt -95.67 -35.98 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.5 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -44.59 82.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -65.95 -34.16 77.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.03 24.43 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.697 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.4 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -67.35 -34.35 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -33.41 62.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.63 -31.77 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.5 t -68.71 -54.26 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -56.15 -30.28 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -69.52 -47.45 63.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 18' ' ' VAL . 8.5 p -70.59 -30.49 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 18' ' ' VAL . 53.0 t -70.03 -35.76 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.58 -31.03 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -77.1 -30.8 55.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.47 -35.5 58.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -54.89 -25.9 32.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -59.3 -29.68 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -79.5 153.38 76.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.63 -71.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -166.52 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -52.94 -54.46 34.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.58 -28.09 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.63 -60.5 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.68 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -62.52 -30.38 71.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 25' ' ' ALA . 18.8 mm -73.98 -45.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.61 -30.73 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -62.7 -37.6 87.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -52.35 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.4 mm? -69.07 -42.11 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.82 -31.4 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -97.35 -30.62 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -34.54 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.676 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 69.8 m95 -98.53 31.53 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -85.71 128.9 56.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -32.54 39.36 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.443 2.095 . . . . 0.0 112.233 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -30.78 69.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.09 -31.82 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.77 152.63 75.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.65 -62.17 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.21 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -176.44 111.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -177.03 86.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -13.35 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.04 -54.67 2.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.91 -32.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.43 -55.94 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.9 -31.33 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.17 -51.21 68.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.676 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.6 t -73.81 -30.76 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -39.07 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.63 -31.1 67.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -78.29 -29.65 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 -40.7 35.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.9 mm-40 -58.16 -64.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -29.27 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -27.91 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.9 mt -75.02 -69.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.296 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -53.61 -25.05 15.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -66.21 -44.54 83.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 27.5 mt -92.59 -35.4 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -73.16 -55.81 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 4.1 pt20 -63.34 -26.11 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.3 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.52 -38.41 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -61.77 -32.4 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.53 -31.81 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.802 HG13 HD12 ' A' ' 63' ' ' LEU . 29.5 t -65.03 -33.84 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -77.7 -27.24 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.5 m -79.51 -41.44 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 22' ' ' VAL . 8.9 p -68.87 -40.61 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -65.67 -45.12 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.209 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 22' ' ' VAL . 13.1 pt-20 -66.44 -32.75 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.36 -35.5 75.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 28' ' ' LEU . . . -76.98 -5.17 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.53 21.76 8.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.775 0.322 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -118.56 -15.1 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.462 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -114.88 164.01 17.92 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.731 0.301 . . . . 0.0 110.787 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.77 170.0 2.96 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.539 2.159 . . . . 0.0 112.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.96 -24.35 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -53.66 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.57 -28.79 26.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -59.09 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -27.21 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -63.36 -42.04 98.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.207 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mm -71.81 -49.41 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.292 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.7 -29.57 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -53.8 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -59.63 -30.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.53 -42.62 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -66.52 -30.48 70.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -84.48 -47.3 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.89 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 59' ' ' VAL . 60.4 m95 -97.81 51.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.02 120.08 41.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HG3' ' HB1' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -54.93 -30.98 71.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.441 2.094 . . . . 0.0 112.271 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -34.91 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -79.39 -34.72 41.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.69 155.15 91.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.13 -61.84 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.604 2.203 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.95 104.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -166.92 109.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.19 -61.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -51.29 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.07 -41.27 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB1' ' HG3' ' A' ' 46' ' ' PRO . . . -72.49 -55.08 7.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.44 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -52.32 -38.99 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.246 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.08 -54.71 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.9 t -69.74 -36.87 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -60.32 -58.23 9.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.55 -37.81 85.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.802 HD12 HG13 ' A' ' 18' ' ' VAL . 2.0 tp -67.96 -51.5 46.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' ILE . 11.8 tt0 -64.42 -30.46 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -29.02 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.753 ' OE1' HG12 ' A' ' 18' ' ' VAL . 3.9 mt-10 -67.69 -29.34 68.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.5 mt -64.23 -68.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -56.24 -29.38 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -61.74 -41.84 98.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 22' ' ' VAL . 72.7 mt -92.34 -35.95 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.7 92.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.18 -55.59 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 5.1 pt20 -57.77 -26.2 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.553 HG23 ' CZ2' ' A' ' 44' ' ' TRP . 30.4 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.6 mm? -64.67 -45.55 86.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.99 -30.64 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.9 tp10 -67.05 -31.71 72.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 21' ' ' VAL . 21.7 t -74.69 -27.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -75.73 -29.54 58.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -81.78 -39.19 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 17' ' ' GLU . 35.0 m -68.72 -41.73 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.315 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG11 ' OE1' ' A' ' 66' ' ' GLU . 11.0 p -63.41 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.9 pt-20 -63.95 -35.59 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.64 -30.89 26.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -66.73 -22.62 66.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.398 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.44 21.08 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -111.81 -22.75 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -101.77 166.95 11.29 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.789 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.97 174.32 11.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -53.63 -24.95 15.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -59.82 -64.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.2 -35.69 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -51.85 -54.08 33.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -58.34 -25.75 62.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.326 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -77.91 -6.54 54.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.783 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.766 HG21 ' HB2' ' A' ' 25' ' ' ALA . 24.1 mm -95.66 -33.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.711 0.291 . . . . 0.0 111.385 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.4 mp -85.39 -39.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.293 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -26.86 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.068 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -80.3 -46.79 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.189 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.76 -32.52 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -71.71 -34.28 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.01 29.28 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -133.05 -43.83 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.777 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 92.0 m95 -97.47 30.67 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -90.05 122.68 67.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.751 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.3 -37.12 80.64 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.479 2.12 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.95 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 39.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.008 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 54.5 m-20 -130.87 151.21 78.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.42 -62.15 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 112.379 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -144.72 -43.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.191 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HB2' HD12 ' A' ' 55' ' ' ILE . 15.4 p-10 -53.21 90.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.94 -21.3 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.05 -56.01 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.968 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.538 HD12 ' HB2' ' A' ' 52' ' ' ASN . 2.0 mt -56.11 -25.53 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . . . -75.02 -35.02 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -47.23 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 59' ' ' VAL . 7.3 pt-20 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.777 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.8 t -88.28 -35.19 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.4 t80 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -30.09 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.46 -33.61 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 71.7 mt-30 -53.41 -30.25 39.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.242 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -82.06 -35.79 28.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG11 ' A' ' 22' ' ' VAL . 10.3 mm-40 -60.48 -25.21 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.48 -67.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -54.86 -27.03 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -49.83 75.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 22' ' ' VAL . 44.7 mt -89.32 -30.7 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.21 -29.99 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -82.71 -44.83 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.75 -29.66 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.059 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.8 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.708 0.29 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -64.15 -53.5 48.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.61 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.62 -40.07 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.0 t -67.81 -28.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.3 m -64.62 -25.16 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m -84.9 -47.68 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 18' ' ' VAL . 11.3 p -67.72 -37.03 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.271 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 18' ' ' VAL . 13.2 p -63.75 -44.66 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.2 pt-20 -69.87 -36.4 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.04 -15.77 63.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -92.71 -6.59 48.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.655 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -94.94 27.09 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.756 0.312 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 4.61 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.98 155.99 35.88 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.724 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.16 -61.87 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.531 2.154 . . . . 0.0 112.214 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -178.77 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.9 m -53.27 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.11 -25.98 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -56.88 -66.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -57.28 -22.46 41.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.315 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -67.83 -30.9 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.282 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 25' ' ' ALA . 30.0 mm -68.37 -37.42 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.224 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 37' ' ' ILE . 5.1 mp -76.66 -32.97 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.06 -29.35 68.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -30.76 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.17 -30.89 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -72.39 -38.47 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.024 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -95.33 20.27 9.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 -40.55 1.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.7 m95 -96.08 25.08 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.418 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 7.9 t-80 -75.44 139.55 71.5 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 69.4 Cg_endo -74.35 -40.93 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.092 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.77 -30.69 70.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -85.05 -40.27 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -79.25 111.98 24.66 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.34 -43.29 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.424 2.083 . . . . 0.0 112.392 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.11 -59.71 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.6 81.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -81.94 -54.72 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.63 -33.67 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.795 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.85 -42.97 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.77 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -33.36 75.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.26 -52.89 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.636 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -69.62 -32.23 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.94 -40.72 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.84 76.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.007 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HD12 ' A' ' 15' ' ' LEU . 5.5 t-160 -66.37 -35.02 79.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.87 -62.11 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -59.7 -47.62 84.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -27.68 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -77.55 -10.84 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -81.54 -42.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -63.33 -37.99 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -31.23 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 72.3 mt -94.75 -46.77 6.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.38 -29.87 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -63.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.61 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.767 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.8 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.792 0.329 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.24 -46.12 35.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -59.71 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -66.07 -38.25 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 14' ' ' ILE . 28.5 t -71.93 -25.96 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -80.49 -20.65 43.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -87.32 -30.73 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.76 -37.44 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -63.12 -44.99 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -71.65 -28.18 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.75 -20.62 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -93.21 -10.5 35.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.58 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 26.59 3.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 111.285 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.77 8.8 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -104.72 156.29 36.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.64 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 28' ' ' LEU . 10.8 Cg_endo -53.38 -63.28 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.537 2.158 . . . . 0.0 112.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.79 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.036 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -55.11 -65.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -24.69 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' LEU . 27.9 ttp180 -57.88 -70.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -55.77 -23.52 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.415 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -63.26 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.139 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.505 ' O ' HD23 ' A' ' 40' ' ' LEU . 35.8 mm -64.74 -42.9 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 37' ' ' ILE . 4.7 mp -80.42 -30.08 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.21 -30.33 71.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -47.27 14.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.3 mm? -60.65 -44.98 95.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -67.29 -31.83 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.09 34.47 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 -42.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 79.7 m95 -95.11 31.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -85.33 126.29 67.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.63 -23.48 74.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -34.73 61.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mmpp? -101.22 30.24 4.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -137.87 78.58 35.53 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.83 -27.78 85.72 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.697 2.265 . . . . 0.0 112.614 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.8 -48.03 3.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.37 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -84.81 61.06 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.398 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -17.17 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.48 -39.06 17.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.5 mm -65.24 -43.33 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.16 -35.03 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -47.86 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.2 t -70.4 -31.53 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -37.83 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.45 -40.92 88.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.37 -30.96 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.47 -29.07 68.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -91.0 -36.84 13.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.07 91.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.9 -27.58 68.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.36 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.29 -30.8 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -59.63 -46.59 88.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -87.14 -45.31 10.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.79 -29.01 58.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -59.93 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -57.17 -42.98 82.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -130.37 -50.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 59.46 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -120.58 -53.44 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.79 144.38 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.23 152.35 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.16 112.4 24.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.81 88.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.75 88.04 14.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 167.44 24.98 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.573 2.182 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -69.9 -30.81 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.79 35.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.566 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 m 58.26 60.33 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.4 mm -112.37 -28.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.7 mm? -82.09 -48.06 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -58.0 -28.18 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -37.63 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.0 t -71.09 -29.9 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -71.43 -23.29 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.214 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -86.53 -47.85 8.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.137 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.0 p -66.15 -28.25 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 p -73.92 -39.75 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.97 -29.33 61.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -29.91 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -82.76 -5.49 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.592 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CZ2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -93.09 20.88 6.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.642 0.258 . . . . 0.0 111.382 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -109.48 -28.89 8.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.01 155.77 90.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.45 -72.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -163.01 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.95 -24.59 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.72 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -56.01 -65.94 0.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -61.22 -25.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -58.25 -34.77 70.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.9 mm -70.3 -41.02 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.16 -30.71 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -31.53 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -48.29 57.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.63 -31.3 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -66.59 -30.61 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.97 -38.14 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -40.13 96.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.0 m95 -97.99 34.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 t-80 -89.28 140.83 28.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 41.9 Cg_endo -67.31 -36.48 20.71 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.468 2.112 . . . . 0.0 112.26 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.0 -30.72 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -32.3 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -59.7 145.1 84.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.46 -46.11 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.172 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -151.03 37.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -122.63 74.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.0 -50.55 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -41.73 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.98 -31.35 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 -45.1 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.3 -31.54 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -57.16 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -61.07 -31.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -38.99 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -59.71 -39.37 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -77.3 -29.49 53.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 tp -76.07 -44.07 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.678 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.0 -51.56 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.07 -26.4 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -70.31 -25.57 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.395 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.4 mt -78.18 -68.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.499 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -32.89 50.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.353 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -59.89 -42.52 93.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 95.5 mt -92.43 -30.71 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.7 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.125 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HG3' HD13 ' A' ' 76' ' ' LEU . 10.6 ttpt -83.01 -45.87 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.43 64.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -95.17 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.522 ' HB3' HD12 ' A' ' 76' ' ' LEU . 5.8 t80 -164.25 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 75' ' ' PHE . 6.2 mp -97.16 92.92 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -153.04 109.63 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.16 88.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -155.23 60.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.5 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -88.2 -171.81 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.0 55.98 1.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 76' ' ' LEU . . . 61.48 36.34 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -80.18 -47.99 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 63.49 125.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.05 36.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.09 -59.04 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.93 0.395 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -174.91 80.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 -51.47 2.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.08 116.2 16.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -109.93 -39.57 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -111.74 162.52 15.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -114.29 -178.68 3.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -92.2 -40.93 10.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 9' ' ' VAL . 30.2 m -106.88 123.38 38.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.17 92.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -49.55 61.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.51 -27.97 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 p 58.7 -169.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mm 69.9 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.5 mm? -54.76 -29.66 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -31.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.37 -35.6 54.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -65.81 -28.02 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -70.11 -20.25 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.276 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -87.66 -46.48 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.707 0.289 . . . . 0.0 111.164 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.13 -37.62 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.364 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.5 p -62.25 -45.03 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.357 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.1 pt-20 -70.76 -28.12 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.154 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -85.67 -32.34 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.007 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.247 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.15 -26.94 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.46 -29.14 63.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.37 153.63 59.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.69 -70.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 12.9 pt-20 -167.24 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -53.6 -54.76 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.77 -17.53 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.622 ' HD2' HD13 ' A' ' 37' ' ' ILE . 7.1 tmm_? -68.76 -53.04 24.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.72 25.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.547 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -63.05 -23.51 67.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.409 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.556 HD12 ' N ' ' A' ' 36' ' ' ILE . 4.0 mp -92.74 -32.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.399 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.622 HD13 ' HD2' ' A' ' 33' ' ' ARG . 4.3 mp -86.26 -39.75 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -68.85 -31.09 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -70.87 -47.33 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.66 -30.52 64.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -70.26 -39.11 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.3 20.72 10.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.221 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.76 -33.86 2.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.685 ' CH2' HG21 ' A' ' 59' ' ' VAL . 46.3 m95 -95.54 36.12 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -81.1 123.83 81.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.668 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.7 -46.16 35.75 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.434 2.089 . . . . 0.0 112.327 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -46.88 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.1 -31.99 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -74.34 152.49 87.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.77 -62.55 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.221 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -160.06 106.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 55' ' ' ILE . 44.3 p-10 -177.72 97.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -94.75 -14.2 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.03 -43.0 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.063 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' ASN . 4.3 mt -64.05 -43.8 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.57 66.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.2 -38.82 87.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.27 -51.4 69.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.081 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.685 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.6 t -68.68 -32.02 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.234 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -36.89 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.15 -38.81 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OE2' ' A' ' 66' ' ' GLU . 18.5 t60 -83.16 -36.72 24.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.14 -36.38 77.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -80.9 -35.94 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.73 -30.75 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 62' ' ' HIS . 62.0 mt-10 -66.7 -28.45 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.04 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.99 -67.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -28.08 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -59.31 -45.28 91.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 26' ' ' TRP . 81.0 mt -93.14 -37.71 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -25.78 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -84.48 -56.86 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -29.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.86 -30.03 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.245 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.29 -68.07 0.67 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 76' ' ' LEU . 8.0 mp -60.25 -65.6 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t0 61.29 65.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.14 124.93 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -141.69 149.39 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.68 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.49 -48.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.24 171.48 13.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -157.34 104.11 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.5 32.79 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.76 -43.6 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.981 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.5 m -132.99 138.7 46.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.671 0.272 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -54.12 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.364 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 166.06 13.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -139.1 141.55 38.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -130.47 -74.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -141.27 167.86 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 60.36 88.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.51 113.3 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -149.34 151.45 33.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.6 146.12 60.22 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.37 -47.76 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.86 -38.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.483 ' O ' HD13 ' A' ' 14' ' ' ILE . 0.8 OUTLIER 60.59 58.35 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.5 mm -133.35 -45.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.2 mm? -65.38 -30.84 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.47 -27.54 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.17 -31.18 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 14' ' ' ILE . 22.0 t -67.45 -29.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -76.9 -22.93 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -87.46 -42.49 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 111.179 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.96 -28.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.354 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -72.52 -44.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.225 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 21.8 pt-20 -70.45 -34.1 72.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.74 -29.33 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -71.8 -42.88 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.242 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -50.19 -27.13 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.385 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -58.11 -27.77 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -85.18 154.17 60.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.57 -74.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 1.4 pt-20 -162.88 -43.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -59.94 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.0 tt0 -79.51 -26.93 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -57.87 -58.55 7.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -55.9 -22.33 25.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -24.75 67.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.276 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.78 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.8 mp -91.85 -34.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.235 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.6 mp -83.26 -29.7 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.143 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -76.5 -39.28 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -74.52 -37.46 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 36' ' ' ILE . 3.5 mm? -64.56 -45.32 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.26 -42.48 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.87 -31.45 45.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -29.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.694 ' CD2' HG11 ' A' ' 59' ' ' VAL . 57.0 m95 -96.86 39.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -101.48 139.52 20.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.89 -44.35 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.489 2.126 . . . . 0.0 112.37 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.1 32.95 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -140.33 153.94 69.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.47 -64.21 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 112.371 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -160.0 108.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -177.62 93.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -92.32 -56.4 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.22 -37.78 75.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.1 mt -73.08 -47.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.55 67.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.92 -52.18 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.78 -29.78 60.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.197 -179.741 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 55' ' ' ILE . 41.1 t -84.44 -32.63 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -41.16 93.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -59.99 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CD2' HD12 ' A' ' 15' ' ' LEU . 21.7 t60 -65.38 -37.23 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.27 -50.54 67.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.961 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -43.85 93.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' OE1' HG12 ' A' ' 18' ' ' VAL . 6.1 mt-10 -71.11 -10.7 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.536 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mm -86.57 -58.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.551 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -59.17 -38.95 80.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.459 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -59.58 -34.38 72.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.115 -179.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 26' ' ' TRP . 31.9 mt -93.6 -52.05 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.35 -29.94 49.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.213 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.91 -29.8 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.68 -28.41 55.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.286 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -94.25 -57.88 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -51.86 67.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 t70 69.75 -65.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.88 138.13 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -73.45 106.05 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.18 140.01 47.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -155.96 81.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -115.46 68.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.07 125.01 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t 63.17 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -138.79 -64.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -144.17 -58.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -125.13 -60.78 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.935 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.07 138.01 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.72 107.91 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -125.21 104.84 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 138.99 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -100.76 171.62 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.564 ' O ' HD22 ' A' ' 8' ' ' LEU . 1.5 t60 -144.16 -47.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -139.84 85.48 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 t -70.12 111.4 9.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.54 148.76 92.85 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -98.88 -30.71 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.48 61.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.38 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.0 t -58.77 -32.58 69.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm -102.32 -32.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mp -70.46 -30.12 66.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -67.06 -29.79 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.99 -31.24 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.1 t -72.35 -28.92 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -70.02 -22.03 63.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.305 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 t -90.94 -56.34 3.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 18' ' ' VAL . 9.9 p -57.33 -25.29 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.516 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -75.75 -41.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.334 . . . . 0.0 111.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 22' ' ' VAL . 5.2 pt-20 -77.58 -28.79 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -65.16 -45.98 82.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.073 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -63.21 -34.28 77.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.566 ' HH2' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -63.6 -28.9 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.989 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -21.32 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 25' ' ' ALA . 2.4 mm? -83.49 156.14 65.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -56.01 -59.68 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.744 2.296 . . . . 0.0 112.214 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -178.73 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -54.84 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.733 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -72.85 -33.06 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 37' ' ' ILE . 30.9 ttp180 -51.55 -67.24 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -25.92 12.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.44 -30.26 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -86.54 -38.63 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 33' ' ' ARG . 5.0 mp -71.59 -27.13 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -78.35 -39.83 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.11 -39.23 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.2 mm? -69.17 -31.09 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -79.71 -31.31 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.64 -30.02 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -76.26 -37.11 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 70.4 m95 -96.19 42.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.02 139.6 20.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 -27.47 21.87 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.476 2.117 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.6 -42.88 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -101.55 45.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -149.7 165.23 18.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.89 -159.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.652 2.235 . . . . 0.0 112.248 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.66 59.58 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -123.13 101.14 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -94.63 -38.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.25 -48.71 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.49 -26.55 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.95 -41.85 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.17 -38.29 81.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.68 -41.02 85.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 22.7 t -79.9 -31.03 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -67.64 -46.6 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 2.2 t60 -58.82 -30.08 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 tp -78.53 -60.74 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.86 ' HA ' HD12 ' A' ' 67' ' ' ILE . 29.5 mt-30 -54.48 -26.08 29.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.96 -27.82 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB3' HG21 ' A' ' 22' ' ' VAL . 4.2 mm-40 -78.24 -29.22 48.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.5 mt -65.29 -64.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.167 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -53.11 -25.22 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -63.11 -49.28 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 26' ' ' TRP . 1.5 mt -92.67 -42.03 9.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -24.05 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HG3' HD13 ' A' ' 76' ' ' LEU . 12.2 ttpt -85.55 -48.3 9.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 74' ' ' ALA . 3.5 pp0? -72.31 -28.64 63.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . . . -99.47 43.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -165.5 -61.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.456 HD13 ' HG3' ' A' ' 72' ' ' LYS . 8.6 mp -59.84 90.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -136.24 -63.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 62.92 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.89 68.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.65 67.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 68.55 -67.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.52 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.62 -45.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.09 -66.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 63.79 139.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -75.32 -71.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 p -124.5 -57.42 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.928 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.801 0.334 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -122.36 36.84 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 75.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -131.27 6.36 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.465 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 67.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -165.9 171.64 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -149.41 137.33 20.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -134.9 150.82 50.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.52 142.21 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.61 104.69 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.494 2.129 . . . . 0.0 112.217 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -37.08 74.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.87 -72.79 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.577 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.414 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -174.9 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.798 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.1 mm 68.72 -69.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.95 -72.05 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 4.1 pttt -55.05 -24.26 24.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -67.28 -30.06 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 14' ' ' ILE . 16.2 t -71.57 -37.23 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -81.13 -47.07 13.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG22 ' CG2' ' A' ' 36' ' ' ILE . 9.1 p -63.7 -43.43 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.6 p -59.28 -44.89 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.9 pt-20 -69.99 -31.17 68.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -72.0 -30.57 65.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.51 -36.55 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -27.12 49.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -57.25 -29.23 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.31 154.02 66.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -55.88 -73.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.42 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -165.11 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -49.35 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.49 -21.87 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.2 ttm180 -63.37 -52.46 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -61.71 -22.61 65.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.393 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -58.93 -31.21 68.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.096 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -79.76 -48.45 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.3 mp -65.5 -26.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HG2' HD12 ' A' ' 42' ' ' LEU . 1.3 ttp85 -77.3 -33.31 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.26 -34.05 59.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 63' ' ' LEU . 4.2 mm? -81.42 -31.8 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -75.99 -31.89 59.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 38' ' ' ARG . 37.6 mt -98.68 30.41 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.37 -42.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.7 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.1 m95 -95.46 35.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.431 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 t-80 -91.68 142.36 26.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.776 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 47.0 Cg_endo -68.53 -26.84 33.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.45 2.1 . . . . 0.0 112.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.68 -30.9 46.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -106.76 39.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -143.26 163.36 37.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.84 -158.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.601 2.2 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -9.79 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.393 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -53.14 97.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -94.65 -30.55 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.14 -36.52 27.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.43 -48.47 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.227 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.05 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.19 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.69 -59.72 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.7 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -60.32 -42.88 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.37 -35.41 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -29.84 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -91.98 -28.71 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 40' ' ' LEU . 1.2 tt -77.29 -57.48 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 67' ' ' ILE . 24.4 mt-30 -57.23 -22.26 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.372 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.87 -22.06 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.359 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -28.61 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.302 . . . . 0.0 111.225 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 64' ' ' GLN . 10.9 mt -67.28 -63.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.333 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -55.19 -30.58 60.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.06 -53.02 62.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.14 -44.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.53 -26.39 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -63.66 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -58.6 -32.9 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.34 -28.96 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.46 -35.81 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.75 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -77.38 93.77 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -151.06 -66.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.48 -37.19 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.29 -174.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -118.6 -72.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.86 120.72 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.49 158.28 18.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.0 m -117.63 -39.92 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 63.61 142.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -141.22 176.69 8.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 m 60.21 97.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.963 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -137.37 113.29 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -145.37 -48.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -149.7 76.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -149.49 131.48 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.81 31.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -93.94 143.79 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -139.97 -84.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 6.5 t -90.75 -47.99 0.36 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.647 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 9' ' ' VAL . 94.5 Cg_endo -84.91 178.94 4.49 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.403 2.069 . . . . 0.0 112.493 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 77.38 1.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.08 -18.99 25.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.486 ' O ' HD13 ' A' ' 14' ' ' ILE . 63.5 m 62.73 80.59 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 mm -134.18 -49.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -71.78 -42.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -59.56 -30.57 68.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -30.74 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.3 t -81.0 -27.13 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.252 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -77.62 -22.59 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.314 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -87.44 -37.83 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -78.8 -28.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.388 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.46 -34.18 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -28.48 34.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -71.39 -36.37 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -65.98 -34.77 78.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -25.71 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -58.68 -28.95 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -86.79 153.33 55.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -56.63 -75.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.789 2.326 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.55 -43.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m -54.78 -51.38 65.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 42.8 mt-10 -88.28 -22.71 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -53.34 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -58.74 -25.95 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -29.65 64.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.5 mp -90.13 -31.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.6 mm -76.88 -41.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -71.24 -33.97 70.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -56.45 21.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.14 -40.74 82.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.5 mt -97.32 -31.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -36.09 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.9 m95 -97.25 39.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.13 128.55 47.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.49 -39.17 83.17 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.234 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -33.77 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -74.45 -38.25 63.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.92 151.56 88.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 -62.01 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.555 2.17 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.68 90.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.645 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 19.2 p-10 -138.88 86.28 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -6.97 58.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.427 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.32 -49.42 2.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.799 0.333 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.6 mt -60.19 -33.16 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.645 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -77.72 -53.83 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.9 -39.05 68.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.05 -58.49 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.764 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -60.76 -34.82 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -40.11 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -81.11 -31.41 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -66.04 -33.6 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -83.21 -41.34 18.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -37.02 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -25.29 67.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.3 mm -64.93 -64.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.23 -28.47 27.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.04 -46.18 85.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 73.7 mt -93.13 -35.02 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -17.91 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -92.33 -60.4 1.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.64 -30.59 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -97.35 45.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.51 -45.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -31.29 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.96 91.41 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.11 36.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -60.02 112.1 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.16 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.88 106.65 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -111.85 -52.46 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 59.87 109.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.66 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.73 128.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.43 119.99 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.4 m 66.47 -71.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 121.43 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 63.55 140.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -112.94 -172.92 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.1 m170 62.68 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 154.28 22.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -92.55 -53.31 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.7 mm? 62.59 119.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 9' ' ' VAL . 18.6 m -136.0 97.49 12.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.75 128.73 22.12 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 97.3 6.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.42 -11.08 72.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.773 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' HD13 ' A' ' 14' ' ' ILE . 13.6 m 66.48 30.45 8.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.3 mm -130.1 -44.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.73 -33.17 69.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.13 -30.95 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -88.2 -31.06 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -71.49 -31.2 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -72.14 -25.9 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -83.07 -43.01 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.029 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -69.28 -35.86 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.314 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG11 ' OE2' ' A' ' 66' ' ' GLU . 11.7 p -68.81 -45.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' HG13 ' A' ' 22' ' ' VAL . 10.3 pt-20 -62.9 -32.69 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.34 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -71.86 -18.28 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.474 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -93.56 22.79 5.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -111.59 -22.83 11.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 166.79 12.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.82 171.32 13.61 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.068 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -54.32 -24.2 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.87 -36.09 25.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.18 44.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -26.93 67.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.55 -34.32 72.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.138 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 25' ' ' ALA . 27.1 mm -68.43 -51.76 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.239 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.2 -30.32 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.17 -29.98 69.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -40.65 65.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.39 -39.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.51 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -88.82 -40.91 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD3' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.029 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 86.0 m95 -107.71 49.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -102.6 133.97 20.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.75 -26.68 45.19 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.421 2.081 . . . . 0.0 112.384 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.48 -26.22 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 33.47 4.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -106.11 151.7 40.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.19 -51.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.398 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.34 39.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.089 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -126.33 90.6 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -89.61 -31.19 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -35.89 50.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.1 mm -74.45 -39.11 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.37 79.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.28 -41.12 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.79 -45.54 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' ILE . 28.9 t -71.81 -30.75 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -34.81 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -60.06 -53.76 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -61.97 -30.1 70.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -65.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -47.83 74.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -26.84 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' OE2' HG11 ' A' ' 22' ' ' VAL . 5.1 mt-10 -80.37 -24.61 39.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.77 -38.26 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.263 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.26 -29.93 24.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.1 -40.2 82.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.7 mt -85.76 -41.92 14.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.55 -30.56 71.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -54.83 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -57.14 -25.78 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.81 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.178 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -149.0 -46.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.16 73.4 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -136.94 106.37 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.02 -68.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.5 m120 63.21 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.86 156.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -173.0 -71.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? 56.44 100.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.9 114.28 2.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.93 167.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 68.52 -67.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -102.95 118.08 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -111.58 -34.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.912 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.874 0.369 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -149.33 30.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.444 ' CD2' HG12 ' A' ' 9' ' ' VAL . 8.6 m-70 -151.51 -178.53 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -156.99 -48.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -147.2 -66.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 170.91 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 60.87 158.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.78 139.54 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 9' ' ' VAL . 10.8 p -122.29 122.75 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.25 149.32 63.61 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -66.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.24 -34.61 13.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.681 ' O ' HD13 ' A' ' 14' ' ' ILE . 53.8 p 54.44 71.41 0.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.2 mm -139.04 -51.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -30.61 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.38 -31.97 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.5 t -68.52 -29.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.8 m -73.99 -24.77 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -81.84 -38.45 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -77.67 -34.11 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.342 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.8 p -69.75 -40.36 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 111.221 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.35 -28.09 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -75.47 -37.67 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.93 85.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -43.59 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -58.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.91 158.53 6.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.81 173.01 8.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.487 2.125 . . . . 0.0 112.193 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.16 -19.35 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -54.17 -65.41 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.252 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HB2' HD13 ' A' ' 28' ' ' LEU . 2.5 mt-10 -76.43 -40.21 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.9 ttp180 -46.71 -46.98 20.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -22.31 48.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -90.59 -32.43 16.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.253 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.73 -29.25 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -81.55 -30.04 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -59.21 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.34 -42.52 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.036 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.3 -32.78 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -37.01 68.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 44.5 m95 -97.68 51.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.94 136.32 19.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.17 -35.86 6.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.393 2.062 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.9 -37.65 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.15 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -81.5 163.57 53.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.72 -159.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.225 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.48 71.33 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -112.82 103.58 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.79 -7.41 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.13 -46.15 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.33 -22.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 -27.44 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -43.59 13.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.183 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 38.2 t -74.78 -39.37 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -38.57 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -60.28 -53.95 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -66.55 -33.14 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -62.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -43.58 96.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -58.37 -35.97 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.28 -25.45 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.9 mm -65.34 -64.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.35 -27.21 22.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -50.34 74.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.71 -40.82 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -22.53 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -83.8 -55.83 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -28.59 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.39 45.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -152.05 -44.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.009 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 76' ' ' LEU . 8.3 mp -81.04 57.72 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 57.01 176.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -101.26 -47.79 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.56 130.98 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -121.75 -50.98 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 60.22 106.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.21 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.51 158.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.807 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -98.15 26.97 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.005 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.38 -169.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.412 ' O ' HG23 ' A' ' 87' ' ' THR . 2.8 t -82.91 91.36 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.848 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 mtt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -142.24 134.21 27.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.37 118.87 31.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -131.62 161.83 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -108.21 -47.01 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -120.23 141.99 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -168.38 -49.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.84 -28.21 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.39 109.33 1.61 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.17 146.56 22.89 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.416 2.077 . . . . 0.0 112.422 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -137.91 -46.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.3 -27.42 10.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m 61.0 -175.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mm 70.02 -63.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.78 -29.82 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -68.35 -31.25 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.46 -31.27 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.18 -29.7 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -78.08 -25.08 47.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 m -84.09 -36.75 22.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.02 -33.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.7 p -66.02 -43.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.06 -29.9 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.83 -32.12 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -79.32 -44.65 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ2' ' OE2' ' A' ' 71' ' ' GLU . 3.4 t-105 -55.42 -26.36 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.85 -29.87 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -80.62 154.27 73.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.81 -67.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.801 2.334 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -172.93 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -56.52 -49.19 75.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.2 mt-10 -91.62 -11.14 37.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.236 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 6.6 tmm_? -80.03 -51.38 9.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.364 . . . . 0.0 111.113 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -43.52 74.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -54.09 -24.27 16.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.396 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 25' ' ' ALA . 11.4 mm -81.11 -46.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.98 -32.59 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -65.25 -34.08 77.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -53.66 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 63' ' ' LEU . 3.8 mm? -64.09 -43.87 94.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.416 ' CD1' ' O ' ' A' ' 41' ' ' TYR . 11.4 t80 -63.61 -26.66 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.99 -44.59 9.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.02 -26.25 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.279 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 43' ' ' LYS . 78.3 m95 -97.29 42.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 t-80 -95.07 140.73 22.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 48.3 Cg_endo -68.75 -27.72 31.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.083 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.45 -30.47 61.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -98.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -131.02 130.15 22.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.84 -65.43 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.437 2.091 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -146.66 28.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -116.75 74.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 2.3 t-160 -93.23 -40.87 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.12 -38.87 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.2 mt -75.17 -30.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.61 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -32.07 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.74 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ILE . 34.2 t -77.98 -29.79 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -43.87 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -59.17 -55.36 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.22 -30.02 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.1 -44.88 75.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.03 -34.88 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -34.89 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.47 -60.46 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -61.32 -27.22 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -57.24 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.1 -40.55 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' OE2' ' CZ2' ' A' ' 26' ' ' TRP . 1.3 tp10 -55.91 -27.83 53.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.58 -55.23 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.54 -22.97 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.16 -29.55 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.284 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -86.44 -52.46 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.135 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.27 -30.21 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.081 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.01 91.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -87.19 123.74 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -137.29 -177.3 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.61 96.5 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.64 -32.57 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 129.94 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -171.97 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -82.24 145.65 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -95.62 147.05 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.63 160.43 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.4 p -137.74 90.82 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.83 0.348 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -116.67 -39.88 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -60.05 -55.69 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -65.91 97.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 158.83 30.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -85.76 179.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -127.41 97.12 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.33 -177.75 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.67 88.33 2.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 119.25 6.25 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.98 -30.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.63 -8.42 46.06 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.653 ' O ' HD13 ' A' ' 14' ' ' ILE . 67.6 m 62.52 103.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.2 mm -137.18 -60.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.3 mp -62.06 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -59.26 -30.3 68.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -81.4 -34.93 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.3 t -64.7 -30.5 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -72.4 -26.14 61.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -81.28 -43.31 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 22' ' ' VAL . 9.3 p -69.26 -42.13 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.4 p -58.3 -45.1 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.165 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.7 pt-20 -67.98 -30.53 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.593 ' O ' HD11 ' A' ' 28' ' ' LEU . 4.4 mm-40 -65.44 -27.99 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.27 -6.29 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.712 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 26.9 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.771 0.32 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' HD13 ' A' ' 28' ' ' LEU . 43.9 mmtt -129.49 1.94 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.03 163.13 45.71 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.682 0.277 . . . . 0.0 110.971 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.39 172.08 2.13 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.691 2.261 . . . . 0.0 112.424 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.1 -24.86 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.284 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -53.32 -56.19 18.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -29.35 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -50.25 65.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.58 -11.98 60.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -80.35 -30.41 38.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.55 -42.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.336 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.45 -32.03 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -43.6 28.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -49.03 77.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.99 -47.4 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.01 -40.67 90.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.44 -37.29 51.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.05 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 39.8 m95 -94.4 46.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.434 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 t-80 -95.37 140.4 22.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 50.1 Cg_endo -69.09 -28.1 28.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.148 . . . . 0.0 112.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.27 -26.43 42.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 30.74 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.74 143.96 51.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.71 -59.74 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.492 2.128 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -149.49 80.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -142.35 82.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -84.97 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.6 -31.16 46.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.5 mt -67.66 -48.88 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.86 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.0 -35.07 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -42.33 73.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.989 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 55' ' ' ILE . 36.6 t -69.95 -29.96 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -43.84 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.18 -32.19 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -82.76 -36.54 25.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.6 -43.97 58.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.794 ' HA ' HD12 ' A' ' 67' ' ' ILE . 4.7 tt0 -58.88 -43.44 90.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.54 -30.44 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.5 mt -71.68 -66.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -56.94 -24.08 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -66.16 -42.98 88.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.22 -37.82 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.6 -30.67 69.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -57.67 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -21.84 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.65 39.46 1.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.237 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -157.5 -45.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.03 78.92 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -106.44 31.19 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.66 -30.89 7.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.39 149.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.11 172.63 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -147.08 -47.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 60.2 31.75 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 86' ' ' ARG . . . -175.37 135.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 p -84.98 -60.74 1.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.7 117.52 34.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.593 ' HD2' ' HB3' ' A' ' 83' ' ' ALA . 4.4 mtp85 -121.16 106.8 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -136.05 137.35 41.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.874 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.891 0.377 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.61 -59.17 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.95 85.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.33 31.44 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -85.53 -47.19 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.32 125.75 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.94 156.12 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.45 -46.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 9' ' ' VAL . 10.8 p -127.64 110.37 20.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.56 93.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.37 2.047 . . . . 0.0 112.378 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -85.32 -37.29 20.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.59 -55.34 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.18 -168.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm 69.86 -64.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' H ' HD22 ' A' ' 15' ' ' LEU . 3.3 mm? -57.35 -35.83 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.29 -31.08 69.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.06 -31.24 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 22' ' ' VAL . 32.9 t -73.14 -35.5 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -76.46 -50.2 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 22' ' ' VAL . 10.8 p -58.79 -44.89 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.8 p -68.35 -34.15 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.95 -36.26 81.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -79.93 -29.26 39.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -66.99 -13.45 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -95.5 23.16 6.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.676 0.274 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -124.21 0.59 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.397 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -127.07 158.93 67.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.74 166.12 3.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.716 2.277 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -57.5 -24.97 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.257 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -55.01 -48.27 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.3 -31.4 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -53.49 -53.05 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -58.47 -31.47 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -67.59 -49.3 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 25' ' ' ALA . 21.8 mm -58.06 -27.19 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.421 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mm -88.28 -43.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.275 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.67 -41.38 81.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -52.7 62.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.04 -35.35 76.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.85 -39.23 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.54 34.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -139.25 -40.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.942 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 88.7 m95 -94.23 35.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.57 111.59 48.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 72.0 Cg_exo -48.9 -37.36 36.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.505 2.137 . . . . 0.0 112.423 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -61.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.75 146.81 80.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 -62.53 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -159.38 92.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -170.16 76.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -6.84 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.444 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.1 -30.88 7.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.14 -35.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . . . -77.34 -41.75 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -43.69 81.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.82 -51.07 71.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.942 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.2 t -66.19 -32.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -48.03 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -59.25 -37.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -74.23 -36.24 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.01 -40.06 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -53.81 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.08 -30.83 69.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG11 ' A' ' 22' ' ' VAL . 4.1 mm-40 -62.63 -27.83 69.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.07 -68.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.91 -28.3 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.8 mt -92.69 -38.71 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.088 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.83 -30.18 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -84.5 -47.74 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.36 -37.92 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.12 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.15 -57.09 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.1 -52.34 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.96 32.53 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.02 86.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -124.39 -44.25 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -118.63 -48.75 2.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.01 -55.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.05 144.16 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.2 -60.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -154.2 30.79 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -119.92 96.77 5.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -92.32 114.36 26.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.846 0.355 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.97 -64.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.97 -174.81 2.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -140.07 97.0 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -109.91 126.21 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -126.15 -44.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.2 p80 -129.39 54.61 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.33 -54.84 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 9' ' ' VAL . 10.4 p -82.39 112.8 39.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.07 177.39 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -103.68 -43.14 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' C ' ' HG ' ' A' ' 13' ' ' SER . . . -126.4 28.03 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.406 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.467 ' HG ' ' C ' ' A' ' 12' ' ' GLY . 6.3 p 52.53 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.488 0.185 . . . . 0.0 111.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.877 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.7 mm 64.51 -73.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.727 0.298 . . . . 0.0 111.426 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 7.9 mp -58.89 -59.58 5.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -52.97 -25.64 12.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.992 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -79.71 -30.55 41.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 14' ' ' ILE . 11.3 t -81.03 -31.11 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -66.24 -23.23 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.276 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -88.36 -51.91 5.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.6 p -58.18 -29.4 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.418 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -73.92 -43.24 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.358 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.2 pt-20 -76.21 -27.48 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.73 -38.21 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.68 -37.68 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -51.94 -25.64 8.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -58.11 -30.32 66.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -80.58 153.61 73.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.91 -62.41 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.722 2.282 . . . . 0.0 112.217 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.56 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -54.26 -48.03 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 36' ' ' ILE . 51.2 mt-10 -92.83 -22.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -63.45 -53.31 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.215 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.64 32.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -60.37 -28.51 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.21 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.4 mp -97.11 -33.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.213 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.5 mm -78.99 -54.6 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -72.33 -59.8 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.1 mm? -62.49 -35.27 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -61.47 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.12 -31.45 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.735 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.1 m95 -94.26 45.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -106.35 140.4 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -37.54 10.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.233 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.32 -39.7 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -33.79 41.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -61.04 151.36 75.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 -57.07 2.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.523 2.149 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 81.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -137.77 106.02 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -92.82 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.56 -39.48 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.53 -46.93 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.27 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.08 -35.25 77.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.48 -49.41 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.735 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -67.74 -37.32 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -36.37 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -60.02 -43.29 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.16 -33.16 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.87 -58.51 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.67 -52.6 55.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.55 -26.46 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.14 -30.29 60.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.1 mt -65.85 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.13 -25.48 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -71.79 -51.55 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.09 -47.13 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.89 -29.39 59.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.91 -30.98 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.24 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -88.51 -29.49 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.36 48.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -94.68 -32.3 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 -43.31 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -92.87 99.52 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.11 -37.16 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.05 133.5 46.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -172.39 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.17 101.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -111.32 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -98.3 166.24 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.34 133.16 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 88' ' ' PHE . 4.5 t -142.02 -48.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.41 ' N ' HG23 ' A' ' 87' ' ' THR . 30.7 m-85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -117.71 175.76 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.68 164.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 30.45 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.78 103.23 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.84 169.47 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -149.52 -69.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tp -156.36 -49.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.37 100.58 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.36 150.84 7.46 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.511 2.141 . . . . 0.0 112.409 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -151.6 103.75 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.61 -1.93 85.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.851 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 61.16 32.63 19.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.2 mm -107.05 -41.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.19 -40.9 58.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.95 -38.39 82.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.72 -36.86 84.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.2 t -68.93 -28.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -76.41 -22.11 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -86.46 -44.15 12.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.723 0.297 . . . . 0.0 111.163 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.19 -32.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -67.12 -44.41 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -68.96 -27.69 65.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.07 -20.34 52.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -89.33 -5.92 57.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.549 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -99.34 26.57 5.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HE3' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -130.29 5.76 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.405 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -128.05 157.67 73.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.661 0.267 . . . . 0.0 110.938 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.4 174.5 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -57.93 -27.28 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.8 m -55.24 -41.78 72.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.89 -32.81 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.89 -39.88 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -9.13 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.43 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -93.31 -42.0 9.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.742 0.306 . . . . 0.0 111.098 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.8 mm -69.05 -49.09 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.284 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.5 -45.58 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -61.31 -46.69 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -59.67 -44.36 93.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.1 mm? -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -74.42 -30.89 62.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 mt -86.62 -35.78 19.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -35.57 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 82.5 m95 -98.4 36.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -94.5 128.35 40.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.76 -35.06 95.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.55 2.166 . . . . 0.0 112.176 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -33.17 75.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -20.02 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -116.55 82.23 12.18 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.76 -27.44 77.91 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.666 2.244 . . . . 0.0 112.236 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.4 -67.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -89.8 85.15 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.88 -1.9 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.383 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.98 -31.33 8.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.46 -29.64 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.26 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.17 -42.0 94.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' HG3' HG23 ' A' ' 59' ' ' VAL . 2.4 pt-20 -63.25 -26.85 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.692 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 37.4 t -91.93 -26.43 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.37 70.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -63.42 -44.46 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -76.31 -31.02 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.48 -30.65 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.33 -45.63 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -30.37 68.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.009 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.5 -56.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -69.07 -22.87 63.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -68.5 -45.83 71.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.085 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 78.4 mt -88.59 -37.32 15.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.206 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -66.54 -24.9 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -92.58 -56.08 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.76 -45.36 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -62.98 -54.38 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.71 -44.91 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.07 59.41 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -119.9 -53.03 2.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -146.51 134.03 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -137.42 104.06 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.02 150.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.82 101.14 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 60.64 101.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.88 -175.42 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -125.86 147.2 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.1 -39.76 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.9 160.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.37 -68.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.745 0.307 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.05 160.51 31.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 61.18 105.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -31.98 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -106.57 -172.18 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -51.67 110.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.03 128.57 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HD3' ' A' ' 10' ' ' PRO . 1.6 pp -161.02 150.28 16.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.82 93.55 29.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.24 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD3' HD12 ' A' ' 8' ' ' LEU . 51.3 Cg_exo -53.22 -56.52 2.67 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.536 2.157 . . . . 0.0 112.232 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.74 92.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.7 -45.84 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.563 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.64 40.17 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm -115.94 -55.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -32.97 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -31.93 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -75.03 -28.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.4 m -70.66 -26.1 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -86.92 -47.53 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -65.93 -26.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.455 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -76.98 -40.24 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.35 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -26.91 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -72.84 -28.15 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.078 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -74.9 -39.73 61.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.333 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -27.18 28.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -61.05 -28.26 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.74 153.8 64.56 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.18 -74.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 6.5 pt-20 -159.45 -43.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -51.8 -65.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.5 mt-10 -76.54 -18.15 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.509 ' O ' HD12 ' A' ' 37' ' ' ILE . 4.3 ttt180 -66.94 -59.12 3.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 0.0 111.028 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -24.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.358 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -57.77 -36.86 72.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.207 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -76.54 -41.86 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.213 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.587 HD12 ' H ' ' A' ' 37' ' ' ILE . 5.4 mp -72.99 -28.69 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -28.7 65.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -78.42 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.2 mm? -58.35 -35.23 71.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -72.25 -37.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.31 30.75 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.56 -42.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.902 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 73.9 m95 -95.53 38.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -89.25 118.61 69.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.71 -34.78 85.44 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.451 2.101 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.8 -34.24 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -105.92 46.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -143.18 134.92 12.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.0 -44.05 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.607 2.205 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.56 36.94 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.421 HD22 ' HB2' ' A' ' 56' ' ' ALA . 1.2 t30 -117.87 28.63 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -66.22 -26.48 67.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.85 -33.91 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.008 0.433 . . . . 0.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -69.61 -30.91 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HB2' HD22 ' A' ' 52' ' ' ASN . . . -85.14 -38.66 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -33.68 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.49 -44.7 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.902 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.8 t -73.35 -30.5 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -31.98 73.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -68.12 -61.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -60.46 -30.2 69.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.32 -42.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.37 -44.81 18.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -29.79 64.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.013 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -74.16 -26.35 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.84 -68.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.63 -30.94 61.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -61.78 -48.19 81.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.2 mt -83.97 -46.09 12.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.5 -25.86 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -64.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.11 -28.31 66.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.987 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -95.41 41.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -139.16 -46.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -35.4 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.18 -164.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.761 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -98.01 -178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -156.3 -46.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.96 142.29 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' HB3' ' A' ' 83' ' ' ALA . 13.2 p-10 -170.63 -176.16 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 -60.23 -31.88 70.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB3' ' OD2' ' A' ' 81' ' ' ASP . . . -76.34 101.22 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.5 t -81.93 152.43 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mtm105 -123.06 144.29 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.19 30.33 19.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -133.75 -65.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.914 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.798 0.332 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 154.61 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -167.35 34.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.51 112.02 5.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.79 32.99 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.22 102.49 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -115.78 93.58 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -171.16 165.27 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -149.09 146.16 20.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HB2' ' HB2' ' A' ' 13' ' ' SER . 69.7 Cg_exo -51.34 141.95 38.88 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.528 2.152 . . . . 0.0 112.36 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 68.15 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 110.753 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.49 -58.76 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.693 ' O ' HD13 ' A' ' 14' ' ' ILE . 25.0 t 61.07 19.66 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 13' ' ' SER . 25.9 mm -144.4 -54.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.408 ' N ' HD12 ' A' ' 15' ' ' LEU . 7.5 mp -59.39 -31.74 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -30.09 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.06 -31.05 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.4 t -71.96 -32.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -67.22 -23.62 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -86.02 -45.91 11.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.9 p -67.97 -33.24 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.359 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.7 p -70.11 -44.53 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.28 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.8 pt-20 -65.77 -37.3 85.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.23 -28.43 68.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.01 -17.22 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -87.13 49.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 0.0 111.004 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 -41.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.85 156.24 26.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.72 -65.06 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.642 2.228 . . . . 0.0 112.302 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -173.85 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.084 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -54.84 -64.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -24.4 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.94 -68.09 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.131 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -25.45 16.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.32 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -64.86 -24.16 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.272 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 25' ' ' ALA . 17.1 mm -82.51 -39.02 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.332 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.596 HD12 ' H ' ' A' ' 37' ' ' ILE . 4.6 mp -81.09 -44.04 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.086 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -26.11 63.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -51.65 8.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.61 -36.87 79.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.17 -30.17 71.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.87 -34.84 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -32.4 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.9 m95 -99.57 37.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -98.07 137.67 20.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.69 -41.12 3.31 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -29.77 69.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -99.51 40.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -140.68 165.2 31.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.07 -47.83 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.18 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.7 89.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 35.8 p-10 -153.22 60.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.91 -5.72 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.448 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -111.83 -32.6 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.763 0.316 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.98 -54.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -58.33 -45.03 88.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.3 m-20 -59.39 -38.08 79.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.95 -47.07 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -71.02 -33.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -31.16 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -59.5 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -63.83 -33.49 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -41.57 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.66 -38.62 88.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -14.82 51.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.79 7.73 25.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.533 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.56 -53.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.08 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HB3' ' NE1' ' A' ' 26' ' ' TRP . 91.1 mt -95.67 -35.98 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.5 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -44.59 82.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -65.95 -34.16 77.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.03 24.43 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.54 29.79 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -151.67 -45.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.64 -49.07 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.48 -50.46 3.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.12 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.99 169.19 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.03 149.75 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.27 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 142.55 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.47 102.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.33 -67.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -128.42 108.94 10.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -84.73 -45.6 12.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -65.78 155.22 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.79 0.329 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 61.57 60.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -62.16 170.43 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.52 160.62 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -100.39 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -89.56 178.57 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -157.59 125.07 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -144.51 113.79 6.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 3.3 t -83.75 -46.67 0.77 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.448 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 30.3 Cg_exo -61.64 166.16 12.26 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.411 2.074 . . . . 0.0 112.257 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -100.19 -45.76 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.36 37.44 1.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p 57.48 101.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.697 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.4 mm -126.68 -62.11 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -67.35 -34.35 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -33.41 62.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.63 -31.77 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.5 t -68.71 -54.26 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -56.15 -30.28 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -69.52 -47.45 63.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 18' ' ' VAL . 8.5 p -70.59 -30.49 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 18' ' ' VAL . 53.0 t -70.03 -35.76 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.58 -31.03 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -77.1 -30.8 55.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.47 -35.5 58.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -54.89 -25.9 32.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -59.3 -29.68 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -79.5 153.38 76.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.63 -71.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -166.52 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -52.94 -54.46 34.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.58 -28.09 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.63 -60.5 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.68 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -62.52 -30.38 71.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 25' ' ' ALA . 18.8 mm -73.98 -45.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.61 -30.73 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -62.7 -37.6 87.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -52.35 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.4 mm? -69.07 -42.11 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.82 -31.4 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -97.35 -30.62 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -34.54 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.676 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 69.8 m95 -98.53 31.53 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -85.71 128.9 56.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -32.54 39.36 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.443 2.095 . . . . 0.0 112.233 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -30.78 69.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.09 -31.82 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.77 152.63 75.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.65 -62.17 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.21 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -176.44 111.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -177.03 86.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.87 -13.35 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.04 -54.67 2.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.91 -32.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.43 -55.94 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.9 -31.33 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.17 -51.21 68.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.676 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.6 t -73.81 -30.76 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -39.07 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.63 -31.1 67.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -78.29 -29.65 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 -40.7 35.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.9 mm-40 -58.16 -64.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -29.27 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -27.91 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.9 mt -75.02 -69.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.296 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -53.61 -25.05 15.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -66.21 -44.54 83.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 27.5 mt -92.59 -35.4 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -73.16 -55.81 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 4.1 pt20 -63.34 -26.11 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.86 41.02 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.621 ' HB3' HD12 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -164.16 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 75' ' ' PHE . 5.6 mp -104.66 92.09 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -118.56 -51.16 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 68.72 -67.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -89.8 83.67 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.66 -40.41 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.78 83.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.99 -47.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.61 141.26 14.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.44 165.32 12.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 116.48 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -96.2 134.39 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 t -143.33 144.73 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.899 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.877 0.37 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -137.14 -66.22 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -90.36 174.4 7.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -130.07 123.81 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 61.85 108.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 59.4 172.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -99.15 168.81 9.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.43 94.44 3.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 2.8 t -84.29 -47.17 0.71 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 30.1 Cg_exo -61.76 124.48 14.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.446 2.097 . . . . 0.0 112.227 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -118.72 33.91 5.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.88 48.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.83 -168.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.728 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.3 mm 69.83 -64.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.52 -38.41 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -61.77 -32.4 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.53 -31.81 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.802 HG13 HD12 ' A' ' 63' ' ' LEU . 29.5 t -65.03 -33.84 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -77.7 -27.24 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.5 m -79.51 -41.44 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 22' ' ' VAL . 8.9 p -68.87 -40.61 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -65.67 -45.12 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.209 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 22' ' ' VAL . 13.1 pt-20 -66.44 -32.75 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.36 -35.5 75.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 28' ' ' LEU . . . -76.98 -5.17 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.53 21.76 8.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.775 0.322 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -118.56 -15.1 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.462 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -114.88 164.01 17.92 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.731 0.301 . . . . 0.0 110.787 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.77 170.0 2.96 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.539 2.159 . . . . 0.0 112.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.96 -24.35 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -53.66 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.57 -28.79 26.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -59.09 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -27.21 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -63.36 -42.04 98.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.207 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mm -71.81 -49.41 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.292 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.7 -29.57 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -53.8 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -59.63 -30.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.53 -42.62 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -66.52 -30.48 70.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -84.48 -47.3 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.89 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 59' ' ' VAL . 60.4 m95 -97.81 51.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.02 120.08 41.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HG3' ' HB1' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -54.93 -30.98 71.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.441 2.094 . . . . 0.0 112.271 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -34.91 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -79.39 -34.72 41.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.69 155.15 91.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.13 -61.84 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.604 2.203 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.95 104.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -166.92 109.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.19 -61.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -51.29 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.07 -41.27 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB1' ' HG3' ' A' ' 46' ' ' PRO . . . -72.49 -55.08 7.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.44 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -52.32 -38.99 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.246 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.08 -54.71 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.9 t -69.74 -36.87 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -60.32 -58.23 9.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.55 -37.81 85.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.802 HD12 HG13 ' A' ' 18' ' ' VAL . 2.0 tp -67.96 -51.5 46.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' ILE . 11.8 tt0 -64.42 -30.46 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -29.02 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.753 ' OE1' HG12 ' A' ' 18' ' ' VAL . 3.9 mt-10 -67.69 -29.34 68.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.5 mt -64.23 -68.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -56.24 -29.38 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -61.74 -41.84 98.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 22' ' ' VAL . 72.7 mt -92.34 -35.95 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.7 92.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.18 -55.59 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 5.1 pt20 -57.77 -26.2 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.89 36.69 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.1 -46.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.88 75.45 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -149.86 72.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -147.95 -47.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -70.67 130.1 40.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.33 137.09 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.73 106.38 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -164.79 94.39 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -152.13 174.71 13.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.05 167.22 21.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.24 105.98 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.38 -61.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -109.85 35.55 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.12 157.73 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.62 112.77 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -156.72 -68.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -150.02 77.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -158.47 -60.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -88.02 114.08 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.75 170.4 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.9 t -89.24 138.93 28.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.36 -45.9 36.56 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.424 2.082 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.06 30.09 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.26 -106.29 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -169.17 103.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.553 HG23 ' CZ2' ' A' ' 44' ' ' TRP . 30.4 mm -127.78 -67.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 15' ' ' LEU . 3.6 mm? -64.67 -45.55 86.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.99 -30.64 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.9 tp10 -67.05 -31.71 72.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 21' ' ' VAL . 21.7 t -74.69 -27.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -75.73 -29.54 58.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -81.78 -39.19 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 17' ' ' GLU . 35.0 m -68.72 -41.73 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.315 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG11 ' OE1' ' A' ' 66' ' ' GLU . 11.0 p -63.41 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.9 pt-20 -63.95 -35.59 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.64 -30.89 26.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -66.73 -22.62 66.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.398 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.44 21.08 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -111.81 -22.75 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -101.77 166.95 11.29 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.789 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.97 174.32 11.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -53.63 -24.95 15.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -59.82 -64.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.2 -35.69 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -51.85 -54.08 33.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -58.34 -25.75 62.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.326 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -77.91 -6.54 54.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.783 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.766 HG21 ' HB2' ' A' ' 25' ' ' ALA . 24.1 mm -95.66 -33.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.711 0.291 . . . . 0.0 111.385 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.4 mp -85.39 -39.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.293 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -26.86 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.068 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -80.3 -46.79 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.189 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.76 -32.52 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -71.71 -34.28 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.01 29.28 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -133.05 -43.83 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.777 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 92.0 m95 -97.47 30.67 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -90.05 122.68 67.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.751 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.3 -37.12 80.64 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.479 2.12 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.95 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 39.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.008 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 54.5 m-20 -130.87 151.21 78.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.42 -62.15 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 112.379 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -144.72 -43.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.191 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HB2' HD12 ' A' ' 55' ' ' ILE . 15.4 p-10 -53.21 90.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.94 -21.3 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.05 -56.01 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.968 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD12 ' HB2' ' A' ' 52' ' ' ASN . 2.0 mt -56.11 -25.53 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . . . -75.02 -35.02 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -47.23 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 59' ' ' VAL . 7.3 pt-20 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.777 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.8 t -88.28 -35.19 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.4 t80 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -30.09 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.46 -33.61 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 71.7 mt-30 -53.41 -30.25 39.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.242 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -82.06 -35.79 28.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG11 ' A' ' 22' ' ' VAL . 10.3 mm-40 -60.48 -25.21 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.48 -67.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -54.86 -27.03 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -49.83 75.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 22' ' ' VAL . 44.7 mt -89.32 -30.7 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.21 -29.99 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -82.71 -44.83 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.75 -29.66 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.9 40.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.059 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.11 -47.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -83.37 76.2 9.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -163.16 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 60.39 35.11 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.13 89.36 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.42 31.17 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.92 -75.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 59.06 175.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.32 61.45 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.65 -65.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 66.97 87.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 ptt85 -131.78 -45.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 p 61.28 153.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.928 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.815 0.34 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -89.83 145.14 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -148.24 -178.18 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m80 61.27 156.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.12 168.72 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -82.87 -177.33 6.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 m170 60.85 156.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mp -96.47 -177.1 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t 66.42 119.04 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -52.08 -35.73 63.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? 59.72 31.33 20.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.05 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.433 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.727 ' O ' HD13 ' A' ' 14' ' ' ILE . 59.6 m -66.32 131.56 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.8 mm -142.28 -46.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -64.15 -53.5 48.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.61 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.62 -40.07 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.0 t -67.81 -28.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.3 m -64.62 -25.16 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m -84.9 -47.68 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 18' ' ' VAL . 11.3 p -67.72 -37.03 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.271 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 18' ' ' VAL . 13.2 p -63.75 -44.66 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.2 pt-20 -69.87 -36.4 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.04 -15.77 63.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -92.71 -6.59 48.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.655 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -94.94 27.09 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.756 0.312 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 4.61 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.98 155.99 35.88 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.724 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.16 -61.87 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.531 2.154 . . . . 0.0 112.214 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -178.77 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.9 m -53.27 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.11 -25.98 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -56.88 -66.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -57.28 -22.46 41.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.315 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -67.83 -30.9 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.282 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 25' ' ' ALA . 30.0 mm -68.37 -37.42 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.224 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.594 HD12 ' H ' ' A' ' 37' ' ' ILE . 5.1 mp -76.66 -32.97 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.06 -29.35 68.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -30.76 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.17 -30.89 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -72.39 -38.47 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.024 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -95.33 20.27 9.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 -40.55 1.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.7 m95 -96.08 25.08 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.418 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 7.9 t-80 -75.44 139.55 71.5 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 69.4 Cg_endo -74.35 -40.93 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.092 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.77 -30.69 70.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -85.05 -40.27 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -79.25 111.98 24.66 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.34 -43.29 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.424 2.083 . . . . 0.0 112.392 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.11 -59.71 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.6 81.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -81.94 -54.72 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.63 -33.67 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.795 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.85 -42.97 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.77 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -33.36 75.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.26 -52.89 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.636 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -69.62 -32.23 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.94 -40.72 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.84 76.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.007 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HD12 ' A' ' 15' ' ' LEU . 5.5 t-160 -66.37 -35.02 79.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.87 -62.11 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -59.7 -47.62 84.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -27.68 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -77.55 -10.84 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -81.54 -42.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -63.33 -37.99 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -31.23 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 72.3 mt -94.75 -46.77 6.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.38 -29.87 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -63.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.61 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -95.53 40.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -138.97 -47.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -61.56 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.75 137.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -102.92 97.28 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -121.86 150.42 41.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.34 174.02 10.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.86 109.2 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -167.42 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.39 116.38 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -60.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 164.43 32.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.46 166.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.897 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.16 131.32 47.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 59.27 25.91 14.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.79 30.11 15.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 127.45 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -114.99 154.69 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -96.39 164.81 12.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.93 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.46 100.32 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.5 179.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.543 2.162 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 -58.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.03 28.6 2.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m 59.74 37.93 21.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.767 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.8 mm -99.24 -43.54 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.24 -46.12 35.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -59.71 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -66.07 -38.25 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 14' ' ' ILE . 28.5 t -71.93 -25.96 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -80.49 -20.65 43.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -87.32 -30.73 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.76 -37.44 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -63.12 -44.99 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -71.65 -28.18 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.75 -20.62 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -93.21 -10.5 35.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.58 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 26.59 3.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 111.285 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.77 8.8 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -104.72 156.29 36.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.64 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 28' ' ' LEU . 10.8 Cg_endo -53.38 -63.28 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.537 2.158 . . . . 0.0 112.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.79 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.036 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -55.11 -65.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -24.69 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' LEU . 27.9 ttp180 -57.88 -70.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -55.77 -23.52 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.415 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -63.26 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.139 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.505 ' O ' HD23 ' A' ' 40' ' ' LEU . 35.8 mm -64.74 -42.9 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 37' ' ' ILE . 4.7 mp -80.42 -30.08 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.21 -30.33 71.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -47.27 14.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.3 mm? -60.65 -44.98 95.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -67.29 -31.83 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.09 34.47 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 -42.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 79.7 m95 -95.11 31.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -85.33 126.29 67.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.63 -23.48 74.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -34.73 61.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mmpp? -101.22 30.24 4.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -137.87 78.58 35.53 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.83 -27.78 85.72 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.697 2.265 . . . . 0.0 112.614 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.8 -48.03 3.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.37 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -84.81 61.06 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.398 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -89.72 -17.17 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.16 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.48 -39.06 17.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.5 mm -65.24 -43.33 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.16 -35.03 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -47.86 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.2 t -70.4 -31.53 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -37.83 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.45 -40.92 88.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.37 -30.96 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.47 -29.07 68.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -91.0 -36.84 13.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.07 91.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.9 -27.58 68.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.36 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.29 -30.8 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -59.63 -46.59 88.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -87.14 -45.31 10.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.79 -29.01 58.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -59.93 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -57.17 -42.98 82.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.98 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -83.62 -45.27 13.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.04 -68.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.87 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -165.72 102.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -117.17 -54.55 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.5 140.57 19.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -66.54 93.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.12 101.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.95 126.26 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.4 p -165.23 142.55 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -141.26 138.65 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -46.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 t -151.22 132.66 14.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.4 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.723 0.296 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.7 mm? -82.09 -48.06 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -58.0 -28.18 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -37.63 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.0 t -71.09 -29.9 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -71.43 -23.29 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.214 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -86.53 -47.85 8.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.137 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.0 p -66.15 -28.25 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 p -73.92 -39.75 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.97 -29.33 61.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -29.91 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -82.76 -5.49 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.592 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CZ2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -93.09 20.88 6.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.642 0.258 . . . . 0.0 111.382 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -109.48 -28.89 8.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.01 155.77 90.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.45 -72.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -163.01 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.95 -24.59 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.72 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -56.01 -65.94 0.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -61.22 -25.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -58.25 -34.77 70.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.9 mm -70.3 -41.02 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.16 -30.71 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -31.53 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -48.29 57.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.63 -31.3 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -66.59 -30.61 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.97 -38.14 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -40.13 96.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.0 m95 -97.99 34.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 t-80 -89.28 140.83 28.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 41.9 Cg_endo -67.31 -36.48 20.71 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.468 2.112 . . . . 0.0 112.26 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.0 -30.72 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -32.3 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -59.7 145.1 84.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.46 -46.11 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.172 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -151.03 37.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -122.63 74.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.0 -50.55 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -41.73 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.98 -31.35 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 -45.1 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.3 -31.54 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -57.16 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -61.07 -31.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -38.99 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -59.71 -39.37 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -77.3 -29.49 53.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 tp -76.07 -44.07 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.678 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.0 -51.56 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.07 -26.4 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -70.31 -25.57 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.395 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.4 mt -78.18 -68.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.499 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -32.89 50.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.353 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -59.89 -42.52 93.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 95.5 mt -92.43 -30.71 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.7 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.125 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -83.01 -45.87 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.43 64.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.751 0.31 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.5 mm? -54.76 -29.66 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -31.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.37 -35.6 54.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -65.81 -28.02 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -70.11 -20.25 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.276 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -87.66 -46.48 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.707 0.289 . . . . 0.0 111.164 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.13 -37.62 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.364 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.5 p -62.25 -45.03 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.357 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.1 pt-20 -70.76 -28.12 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.154 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -85.67 -32.34 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.007 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.247 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.15 -26.94 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.46 -29.14 63.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.37 153.63 59.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.69 -70.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 12.9 pt-20 -167.24 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -53.6 -54.76 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.77 -17.53 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.622 ' HD2' HD13 ' A' ' 37' ' ' ILE . 7.1 tmm_? -68.76 -53.04 24.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.72 25.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.547 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -63.05 -23.51 67.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.409 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 36' ' ' ILE . 4.0 mp -92.74 -32.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.399 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.622 HD13 ' HD2' ' A' ' 33' ' ' ARG . 4.3 mp -86.26 -39.75 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -68.85 -31.09 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -70.87 -47.33 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.66 -30.52 64.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -70.26 -39.11 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.3 20.72 10.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.221 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.76 -33.86 2.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.685 ' CH2' HG21 ' A' ' 59' ' ' VAL . 46.3 m95 -95.54 36.12 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -81.1 123.83 81.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.668 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.7 -46.16 35.75 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.434 2.089 . . . . 0.0 112.327 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -46.88 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.1 -31.99 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -74.34 152.49 87.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.77 -62.55 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.221 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -160.06 106.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 55' ' ' ILE . 44.3 p-10 -177.72 97.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -94.75 -14.2 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.03 -43.0 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.063 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' ASN . 4.3 mt -64.05 -43.8 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.57 66.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.2 -38.82 87.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.27 -51.4 69.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.081 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.685 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.6 t -68.68 -32.02 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.234 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -36.89 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.15 -38.81 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OE2' ' A' ' 66' ' ' GLU . 18.5 t60 -83.16 -36.72 24.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.14 -36.38 77.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -80.9 -35.94 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.73 -30.75 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 62' ' ' HIS . 62.0 mt-10 -66.7 -28.45 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.04 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.99 -67.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -28.08 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -59.31 -45.28 91.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 26' ' ' TRP . 81.0 mt -93.14 -37.71 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -25.78 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -84.48 -56.86 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -29.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.245 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.5 mm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -65.38 -30.84 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.47 -27.54 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.17 -31.18 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 14' ' ' ILE . 22.0 t -67.45 -29.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -76.9 -22.93 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -87.46 -42.49 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 111.179 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.96 -28.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.354 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -72.52 -44.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.225 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 21.8 pt-20 -70.45 -34.1 72.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.74 -29.33 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -71.8 -42.88 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.242 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -50.19 -27.13 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.385 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -58.11 -27.77 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -85.18 154.17 60.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.57 -74.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 1.4 pt-20 -162.88 -43.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -59.94 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.0 tt0 -79.51 -26.93 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -57.87 -58.55 7.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -55.9 -22.33 25.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -24.75 67.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.276 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.78 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.8 mp -91.85 -34.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.235 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.6 mp -83.26 -29.7 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.143 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -76.5 -39.28 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -74.52 -37.46 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 36' ' ' ILE . 3.5 mm? -64.56 -45.32 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.26 -42.48 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.87 -31.45 45.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -29.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.694 ' CD2' HG11 ' A' ' 59' ' ' VAL . 57.0 m95 -96.86 39.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -101.48 139.52 20.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.89 -44.35 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.489 2.126 . . . . 0.0 112.37 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.1 32.95 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -140.33 153.94 69.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.47 -64.21 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 112.371 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -160.0 108.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -177.62 93.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -92.32 -56.4 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.22 -37.78 75.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.1 mt -73.08 -47.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.55 67.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.92 -52.18 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.78 -29.78 60.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.197 -179.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 55' ' ' ILE . 41.1 t -84.44 -32.63 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -41.16 93.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -59.99 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CD2' HD12 ' A' ' 15' ' ' LEU . 21.7 t60 -65.38 -37.23 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.27 -50.54 67.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.961 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -43.85 93.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' OE1' HG12 ' A' ' 18' ' ' VAL . 6.1 mt-10 -71.11 -10.7 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.536 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mm -86.57 -58.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.551 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -59.17 -38.95 80.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.459 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -59.58 -34.38 72.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.115 -179.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 26' ' ' TRP . 31.9 mt -93.6 -52.05 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.35 -29.94 49.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.213 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.91 -29.8 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.286 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.809 0.338 . . . . 0.0 111.252 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mp -70.46 -30.12 66.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -67.06 -29.79 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.99 -31.24 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.1 t -72.35 -28.92 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -70.02 -22.03 63.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.305 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 t -90.94 -56.34 3.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 18' ' ' VAL . 9.9 p -57.33 -25.29 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.516 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -75.75 -41.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.334 . . . . 0.0 111.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 22' ' ' VAL . 5.2 pt-20 -77.58 -28.79 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -65.16 -45.98 82.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.073 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.688 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -63.21 -34.28 77.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.566 ' HH2' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -63.6 -28.9 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.989 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -21.32 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 25' ' ' ALA . 2.4 mm? -83.49 156.14 65.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -56.01 -59.68 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.744 2.296 . . . . 0.0 112.214 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -178.73 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -54.84 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.733 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -72.85 -33.06 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 37' ' ' ILE . 30.9 ttp180 -51.55 -67.24 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -25.92 12.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.44 -30.26 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -86.54 -38.63 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 33' ' ' ARG . 5.0 mp -71.59 -27.13 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -78.35 -39.83 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.11 -39.23 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.2 mm? -69.17 -31.09 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -79.71 -31.31 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.64 -30.02 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -76.26 -37.11 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 70.4 m95 -96.19 42.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.02 139.6 20.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 -27.47 21.87 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.476 2.117 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.6 -42.88 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -101.55 45.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -149.7 165.23 18.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.89 -159.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.652 2.235 . . . . 0.0 112.248 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.66 59.58 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -123.13 101.14 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -94.63 -38.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.25 -48.71 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.49 -26.55 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.95 -41.85 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.17 -38.29 81.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.68 -41.02 85.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 22.7 t -79.9 -31.03 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -67.64 -46.6 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 2.2 t60 -58.82 -30.08 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 tp -78.53 -60.74 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.86 ' HA ' HD12 ' A' ' 67' ' ' ILE . 29.5 mt-30 -54.48 -26.08 29.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.96 -27.82 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB3' HG21 ' A' ' 22' ' ' VAL . 4.2 mm-40 -78.24 -29.22 48.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.5 mt -65.29 -64.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.167 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -53.11 -25.22 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -63.11 -49.28 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 26' ' ' TRP . 1.5 mt -92.67 -42.03 9.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -24.05 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -85.55 -48.3 9.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 74' ' ' ALA . 3.5 pp0? -72.31 -28.64 63.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.798 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.1 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.738 0.304 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.95 -72.05 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -55.05 -24.26 24.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -67.28 -30.06 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 14' ' ' ILE . 16.2 t -71.57 -37.23 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -81.13 -47.07 13.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG22 ' CG2' ' A' ' 36' ' ' ILE . 9.1 p -63.7 -43.43 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.6 p -59.28 -44.89 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.9 pt-20 -69.99 -31.17 68.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -72.0 -30.57 65.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.51 -36.55 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -27.12 49.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -57.25 -29.23 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.31 154.02 66.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -55.88 -73.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.42 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -165.11 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -49.35 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.49 -21.87 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.2 ttm180 -63.37 -52.46 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -61.71 -22.61 65.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.393 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -58.93 -31.21 68.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.096 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -79.76 -48.45 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.3 mp -65.5 -26.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HG2' HD12 ' A' ' 42' ' ' LEU . 1.3 ttp85 -77.3 -33.31 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.26 -34.05 59.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 63' ' ' LEU . 4.2 mm? -81.42 -31.8 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -75.99 -31.89 59.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 38' ' ' ARG . 37.6 mt -98.68 30.41 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.37 -42.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.7 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.1 m95 -95.46 35.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.431 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 t-80 -91.68 142.36 26.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.776 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 47.0 Cg_endo -68.53 -26.84 33.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.45 2.1 . . . . 0.0 112.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.68 -30.9 46.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -106.76 39.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -143.26 163.36 37.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.84 -158.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.601 2.2 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -9.79 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.393 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -53.14 97.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -94.65 -30.55 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.14 -36.52 27.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.43 -48.47 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.227 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.05 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.19 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.69 -59.72 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.7 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -60.32 -42.88 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.8 t80 -65.37 -35.41 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -29.84 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -91.98 -28.71 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 40' ' ' LEU . 1.2 tt -77.29 -57.48 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.3 mt-30 -57.23 -22.26 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.372 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.87 -22.06 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.359 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -28.61 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.302 . . . . 0.0 111.225 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 64' ' ' GLN . 10.9 mt -67.28 -63.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.333 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -55.19 -30.58 60.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.06 -53.02 62.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.14 -44.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.53 -26.39 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -63.66 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -58.6 -32.9 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.229 -179.897 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 mm . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.746 0.307 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -71.78 -42.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -59.56 -30.57 68.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -30.74 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.3 t -81.0 -27.13 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.252 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -77.62 -22.59 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.314 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -87.44 -37.83 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -78.8 -28.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.388 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.46 -34.18 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -28.48 34.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -71.39 -36.37 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -65.98 -34.77 78.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -25.71 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -58.68 -28.95 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -86.79 153.33 55.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -56.63 -75.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.789 2.326 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.55 -43.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m -54.78 -51.38 65.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 42.8 mt-10 -88.28 -22.71 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -53.34 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -58.74 -25.95 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -29.65 64.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.5 mp -90.13 -31.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.6 mm -76.88 -41.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -71.24 -33.97 70.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -56.45 21.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.14 -40.74 82.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.5 mt -97.32 -31.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -36.09 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.9 m95 -97.25 39.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.13 128.55 47.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.49 -39.17 83.17 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.234 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -33.77 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -74.45 -38.25 63.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.92 151.56 88.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 -62.01 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.555 2.17 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.68 90.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.645 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 19.2 p-10 -138.88 86.28 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -6.97 58.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.427 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.32 -49.42 2.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.799 0.333 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.6 mt -60.19 -33.16 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.645 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -77.72 -53.83 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.9 -39.05 68.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.05 -58.49 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.764 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -60.76 -34.82 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -40.11 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.468 ' CD2' HD12 ' A' ' 15' ' ' LEU . 33.0 t60 -81.11 -31.41 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -66.04 -33.6 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -83.21 -41.34 18.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -37.02 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -25.29 67.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.3 mm -64.93 -64.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.23 -28.47 27.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.04 -46.18 85.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 73.7 mt -93.13 -35.02 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -17.91 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -92.33 -60.4 1.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.64 -30.59 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.3 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.784 0.325 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.73 -33.17 69.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.13 -30.95 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -88.2 -31.06 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -71.49 -31.2 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -72.14 -25.9 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -83.07 -43.01 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.029 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -69.28 -35.86 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.314 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.491 HG11 ' OE2' ' A' ' 66' ' ' GLU . 11.7 p -68.81 -45.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' HG13 ' A' ' 22' ' ' VAL . 10.3 pt-20 -62.9 -32.69 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.34 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -71.86 -18.28 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.474 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -93.56 22.79 5.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -111.59 -22.83 11.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 166.79 12.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.82 171.32 13.61 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.068 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -54.32 -24.2 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.87 -36.09 25.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.18 44.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -26.93 67.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.55 -34.32 72.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.138 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 25' ' ' ALA . 27.1 mm -68.43 -51.76 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.239 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.2 -30.32 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.17 -29.98 69.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -40.65 65.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.39 -39.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.51 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -88.82 -40.91 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD3' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.029 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 86.0 m95 -107.71 49.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -102.6 133.97 20.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.75 -26.68 45.19 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.421 2.081 . . . . 0.0 112.384 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.48 -26.22 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 33.47 4.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -106.11 151.7 40.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.19 -51.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.398 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.34 39.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.089 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -126.33 90.6 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -89.61 -31.19 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -35.89 50.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.1 mm -74.45 -39.11 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.37 79.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.28 -41.12 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.79 -45.54 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' ILE . 28.9 t -71.81 -30.75 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -34.81 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -60.06 -53.76 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.97 -30.1 70.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -65.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -47.83 74.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -26.84 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' OE2' HG11 ' A' ' 22' ' ' VAL . 5.1 mt-10 -80.37 -24.61 39.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.77 -38.26 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.263 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.26 -29.93 24.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.1 -40.2 82.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.7 mt -85.76 -41.92 14.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.55 -30.56 71.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -54.83 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -57.14 -25.78 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.178 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.2 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -30.61 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.38 -31.97 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.5 t -68.52 -29.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.8 m -73.99 -24.77 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -81.84 -38.45 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -77.67 -34.11 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.342 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.8 p -69.75 -40.36 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 111.221 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.35 -28.09 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -75.47 -37.67 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.93 85.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -43.59 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -58.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.91 158.53 6.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.81 173.01 8.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.487 2.125 . . . . 0.0 112.193 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.16 -19.35 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -54.17 -65.41 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.252 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HB2' HD13 ' A' ' 28' ' ' LEU . 2.5 mt-10 -76.43 -40.21 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.9 ttp180 -46.71 -46.98 20.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -22.31 48.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -90.59 -32.43 16.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.253 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.73 -29.25 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -81.55 -30.04 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -59.21 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.34 -42.52 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.036 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.3 -32.78 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -37.01 68.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 44.5 m95 -97.68 51.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.94 136.32 19.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.17 -35.86 6.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.393 2.062 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.9 -37.65 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.15 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -81.5 163.57 53.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.72 -159.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.225 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.48 71.33 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -112.82 103.58 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -93.79 -7.41 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.13 -46.15 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.33 -22.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 -27.44 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -43.59 13.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.183 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 38.2 t -74.78 -39.37 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -38.57 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -60.28 -53.95 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -66.55 -33.14 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -62.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -43.58 96.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.37 -35.97 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.28 -25.45 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.9 mm -65.34 -64.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.35 -27.21 22.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -50.34 74.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.71 -40.82 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -22.53 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -83.8 -55.83 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -28.59 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.693 0.282 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.78 -29.82 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -68.35 -31.25 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.46 -31.27 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.18 -29.7 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -78.08 -25.08 47.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 m -84.09 -36.75 22.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.02 -33.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.7 p -66.02 -43.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.06 -29.9 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.83 -32.12 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -79.32 -44.65 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ2' ' OE2' ' A' ' 71' ' ' GLU . 3.4 t-105 -55.42 -26.36 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.85 -29.87 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -80.62 154.27 73.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.81 -67.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.801 2.334 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -172.93 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -56.52 -49.19 75.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.2 mt-10 -91.62 -11.14 37.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.236 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 6.6 tmm_? -80.03 -51.38 9.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.364 . . . . 0.0 111.113 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -43.52 74.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -54.09 -24.27 16.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.396 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 25' ' ' ALA . 11.4 mm -81.11 -46.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.98 -32.59 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -65.25 -34.08 77.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -53.66 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 63' ' ' LEU . 3.8 mm? -64.09 -43.87 94.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.416 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 11.4 t80 -63.61 -26.66 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.99 -44.59 9.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.02 -26.25 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.279 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 43' ' ' LYS . 78.3 m95 -97.29 42.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 t-80 -95.07 140.73 22.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 48.3 Cg_endo -68.75 -27.72 31.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.083 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.45 -30.47 61.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -98.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -131.02 130.15 22.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.84 -65.43 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.437 2.091 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -146.66 28.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -116.75 74.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 2.3 t-160 -93.23 -40.87 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.12 -38.87 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.2 mt -75.17 -30.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.61 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -32.07 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.74 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ILE . 34.2 t -77.98 -29.79 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -43.87 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -59.17 -55.36 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.22 -30.02 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.1 -44.88 75.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.03 -34.88 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -34.89 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.47 -60.46 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -61.32 -27.22 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -57.24 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.1 -40.55 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' OE2' ' CZ2' ' A' ' 26' ' ' TRP . 1.3 tp10 -55.91 -27.83 53.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.58 -55.23 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.54 -22.97 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.284 -179.724 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.2 mm . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.3 mp -62.06 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -59.26 -30.3 68.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -81.4 -34.93 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.3 t -64.7 -30.5 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -72.4 -26.14 61.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -81.28 -43.31 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 22' ' ' VAL . 9.3 p -69.26 -42.13 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.4 p -58.3 -45.1 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.165 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.7 pt-20 -67.98 -30.53 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.593 ' O ' HD11 ' A' ' 28' ' ' LEU . 4.4 mm-40 -65.44 -27.99 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.27 -6.29 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.712 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 26.9 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.771 0.32 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' HD13 ' A' ' 28' ' ' LEU . 43.9 mmtt -129.49 1.94 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.759 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.03 163.13 45.71 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.682 0.277 . . . . 0.0 110.971 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.39 172.08 2.13 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.691 2.261 . . . . 0.0 112.424 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.1 -24.86 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.284 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -53.32 -56.19 18.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -29.35 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -50.25 65.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.58 -11.98 60.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -80.35 -30.41 38.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.55 -42.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.336 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.45 -32.03 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -43.6 28.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -49.03 77.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.99 -47.4 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.01 -40.67 90.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.44 -37.29 51.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.05 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 39.8 m95 -94.4 46.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.434 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 t-80 -95.37 140.4 22.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 50.1 Cg_endo -69.09 -28.1 28.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.148 . . . . 0.0 112.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.27 -26.43 42.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 30.74 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.74 143.96 51.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.71 -59.74 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.492 2.128 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -149.49 80.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -142.35 82.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -84.97 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.6 -31.16 46.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.5 mt -67.66 -48.88 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.86 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.0 -35.07 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -42.33 73.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.989 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 55' ' ' ILE . 36.6 t -69.95 -29.96 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -43.84 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.18 -32.19 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.0 t60 -82.76 -36.54 25.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.6 -43.97 58.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.794 ' HA ' HD12 ' A' ' 67' ' ' ILE . 4.7 tt0 -58.88 -43.44 90.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.54 -30.44 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.5 mt -71.68 -66.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -56.94 -24.08 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -66.16 -42.98 88.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.22 -37.82 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.6 -30.67 69.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -57.67 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -21.84 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.237 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.7 0.285 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' H ' ' A' ' 15' ' ' LEU . 3.3 mm? -57.35 -35.83 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.29 -31.08 69.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.06 -31.24 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 22' ' ' VAL . 32.9 t -73.14 -35.5 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -76.46 -50.2 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 22' ' ' VAL . 10.8 p -58.79 -44.89 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.8 p -68.35 -34.15 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.95 -36.26 81.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -79.93 -29.26 39.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -66.99 -13.45 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -95.5 23.16 6.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.676 0.274 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -124.21 0.59 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.397 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -127.07 158.93 67.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.74 166.12 3.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.716 2.277 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -57.5 -24.97 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.257 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -55.01 -48.27 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.3 -31.4 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -53.49 -53.05 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -58.47 -31.47 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -67.59 -49.3 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 25' ' ' ALA . 21.8 mm -58.06 -27.19 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.421 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mm -88.28 -43.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.275 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.67 -41.38 81.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -52.7 62.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.04 -35.35 76.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.85 -39.23 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.54 34.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -139.25 -40.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.942 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 88.7 m95 -94.23 35.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.57 111.59 48.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 72.0 Cg_exo -48.9 -37.36 36.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.505 2.137 . . . . 0.0 112.423 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -61.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.75 146.81 80.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 -62.53 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -159.38 92.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -170.16 76.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -6.84 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.444 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.1 -30.88 7.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.14 -35.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . . . -77.34 -41.75 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -43.69 81.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.82 -51.07 71.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.942 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.2 t -66.19 -32.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -48.03 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -59.25 -37.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -74.23 -36.24 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.01 -40.06 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -53.81 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.08 -30.83 69.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG11 ' A' ' 22' ' ' VAL . 4.1 mm-40 -62.63 -27.83 69.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.07 -68.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.91 -28.3 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.8 mt -92.69 -38.71 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.088 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.83 -30.18 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -84.5 -47.74 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.36 -37.92 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.877 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.7 mm . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.727 0.298 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mp -58.89 -59.58 5.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.097 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -52.97 -25.64 12.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.992 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -79.71 -30.55 41.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 14' ' ' ILE . 11.3 t -81.03 -31.11 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -66.24 -23.23 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.276 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -88.36 -51.91 5.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.6 p -58.18 -29.4 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.418 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -73.92 -43.24 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.358 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.2 pt-20 -76.21 -27.48 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.73 -38.21 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.68 -37.68 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -51.94 -25.64 8.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -58.11 -30.32 66.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -80.58 153.61 73.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.91 -62.41 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.722 2.282 . . . . 0.0 112.217 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.56 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -54.26 -48.03 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 36' ' ' ILE . 51.2 mt-10 -92.83 -22.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -63.45 -53.31 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.215 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.64 32.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -60.37 -28.51 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.21 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.4 mp -97.11 -33.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.213 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.5 mm -78.99 -54.6 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -72.33 -59.8 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.1 mm? -62.49 -35.27 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -61.47 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.12 -31.45 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.735 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.1 m95 -94.26 45.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -106.35 140.4 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -37.54 10.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.233 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.32 -39.7 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -33.79 41.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -61.04 151.36 75.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 -57.07 2.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.523 2.149 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 81.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -137.77 106.02 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -92.82 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.56 -39.48 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.53 -46.93 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.27 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.08 -35.25 77.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.48 -49.41 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.735 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -67.74 -37.32 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -36.37 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -60.02 -43.29 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.16 -33.16 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.87 -58.51 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.67 -52.6 55.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.55 -26.46 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.14 -30.29 60.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.1 mt -65.85 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.13 -25.48 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -71.79 -51.55 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.09 -47.13 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.89 -29.39 59.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.91 -30.98 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.87 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.2 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.777 0.322 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.19 -40.9 58.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.95 -38.39 82.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.72 -36.86 84.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.2 t -68.93 -28.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -76.41 -22.11 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -86.46 -44.15 12.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.723 0.297 . . . . 0.0 111.163 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.19 -32.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -67.12 -44.41 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -68.96 -27.69 65.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.07 -20.34 52.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -89.33 -5.92 57.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.549 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -99.34 26.57 5.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HE3' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -130.29 5.76 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.405 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -128.05 157.67 73.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.661 0.267 . . . . 0.0 110.938 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.4 174.5 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -57.93 -27.28 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.8 m -55.24 -41.78 72.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.89 -32.81 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.89 -39.88 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -9.13 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.43 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -93.31 -42.0 9.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.742 0.306 . . . . 0.0 111.098 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.8 mm -69.05 -49.09 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.284 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.5 -45.58 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -61.31 -46.69 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -59.67 -44.36 93.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.1 mm? -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -74.42 -30.89 62.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 mt -86.62 -35.78 19.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -35.57 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 82.5 m95 -98.4 36.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -94.5 128.35 40.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.76 -35.06 95.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.55 2.166 . . . . 0.0 112.176 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -33.17 75.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -20.02 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -116.55 82.23 12.18 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.76 -27.44 77.91 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.666 2.244 . . . . 0.0 112.236 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.4 -67.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -89.8 85.15 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.88 -1.9 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.383 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.98 -31.33 8.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.46 -29.64 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.26 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.17 -42.0 94.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' HG3' HG23 ' A' ' 59' ' ' VAL . 2.4 pt-20 -63.25 -26.85 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.692 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 37.4 t -91.93 -26.43 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.37 70.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -63.42 -44.46 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -76.31 -31.02 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.48 -30.65 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.33 -45.63 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -30.37 68.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.009 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.5 -56.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -69.07 -22.87 63.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -68.5 -45.83 71.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.085 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 78.4 mt -88.59 -37.32 15.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.206 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -66.54 -24.9 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -92.58 -56.08 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.76 -45.36 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -32.97 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -31.93 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -75.03 -28.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.4 m -70.66 -26.1 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -86.92 -47.53 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -65.93 -26.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.455 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -76.98 -40.24 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.35 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -26.91 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -28.15 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.078 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -74.9 -39.73 61.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.333 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -27.18 28.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -61.05 -28.26 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.74 153.8 64.56 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.18 -74.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 6.5 pt-20 -159.45 -43.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -51.8 -65.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.5 mt-10 -76.54 -18.15 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.509 ' O ' HD12 ' A' ' 37' ' ' ILE . 4.3 ttt180 -66.94 -59.12 3.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 0.0 111.028 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -24.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.358 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -57.77 -36.86 72.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.207 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -76.54 -41.86 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.213 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.4 mp -72.99 -28.69 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -28.7 65.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -78.42 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.2 mm? -58.35 -35.23 71.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -72.25 -37.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.31 30.75 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.56 -42.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.902 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 73.9 m95 -95.53 38.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -89.25 118.61 69.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.71 -34.78 85.44 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.451 2.101 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.8 -34.24 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -105.92 46.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -143.18 134.92 12.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.0 -44.05 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.607 2.205 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.56 36.94 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.421 HD22 ' HB2' ' A' ' 56' ' ' ALA . 1.2 t30 -117.87 28.63 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -26.48 67.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.85 -33.91 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.008 0.433 . . . . 0.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -69.61 -30.91 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HB2' HD22 ' A' ' 52' ' ' ASN . . . -85.14 -38.66 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -33.68 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.49 -44.7 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.902 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.8 t -73.35 -30.5 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -31.98 73.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -68.12 -61.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -60.46 -30.2 69.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.32 -42.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.37 -44.81 18.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -29.79 64.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.013 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -74.16 -26.35 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.84 -68.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.63 -30.94 61.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -61.78 -48.19 81.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.2 mt -83.97 -46.09 12.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.5 -25.86 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -64.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.11 -28.31 66.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.987 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.091 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.631 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.9 mm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.5 mp -59.39 -31.74 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -30.09 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.06 -31.05 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.4 t -71.96 -32.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -67.22 -23.62 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -86.02 -45.91 11.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.9 p -67.97 -33.24 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.359 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.7 p -70.11 -44.53 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.28 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.8 pt-20 -65.77 -37.3 85.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.23 -28.43 68.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.01 -17.22 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -87.13 49.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 0.0 111.004 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 -41.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.85 156.24 26.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.72 -65.06 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.642 2.228 . . . . 0.0 112.302 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -173.85 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.084 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -54.84 -64.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -24.4 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.94 -68.09 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.131 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -25.45 16.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.32 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -64.86 -24.16 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.272 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 25' ' ' ALA . 17.1 mm -82.51 -39.02 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.332 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.596 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.6 mp -81.09 -44.04 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.086 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -26.11 63.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -51.65 8.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.61 -36.87 79.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.17 -30.17 71.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.87 -34.84 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -32.4 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.9 m95 -99.57 37.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -98.07 137.67 20.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.69 -41.12 3.31 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -29.77 69.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -99.51 40.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -140.68 165.2 31.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.07 -47.83 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.18 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.7 89.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 35.8 p-10 -153.22 60.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -5.72 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.448 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -111.83 -32.6 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.763 0.316 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.98 -54.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -58.33 -45.03 88.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.39 -38.08 79.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.95 -47.07 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -71.02 -33.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -31.16 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -59.5 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.4 t60 -63.83 -33.49 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -41.57 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.66 -38.62 88.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -14.82 51.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.79 7.73 25.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.533 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.56 -53.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.08 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HB3' ' NE1' ' A' ' 26' ' ' TRP . 91.1 mt -95.67 -35.98 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.5 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -44.59 82.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -65.95 -34.16 77.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.03 24.43 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.697 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.4 mm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -67.35 -34.35 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -33.41 62.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.63 -31.77 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.5 t -68.71 -54.26 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -56.15 -30.28 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -69.52 -47.45 63.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 18' ' ' VAL . 8.5 p -70.59 -30.49 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 18' ' ' VAL . 53.0 t -70.03 -35.76 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.58 -31.03 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -77.1 -30.8 55.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.47 -35.5 58.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -54.89 -25.9 32.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -59.3 -29.68 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -79.5 153.38 76.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.63 -71.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -166.52 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -52.94 -54.46 34.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.58 -28.09 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.63 -60.5 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.68 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -62.52 -30.38 71.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 25' ' ' ALA . 18.8 mm -73.98 -45.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.61 -30.73 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -62.7 -37.6 87.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -52.35 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.4 mm? -69.07 -42.11 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.82 -31.4 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -97.35 -30.62 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -34.54 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.676 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 69.8 m95 -98.53 31.53 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -85.71 128.9 56.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -32.54 39.36 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.443 2.095 . . . . 0.0 112.233 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -30.78 69.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.09 -31.82 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.77 152.63 75.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.65 -62.17 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.21 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -176.44 111.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -177.03 86.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -13.35 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.04 -54.67 2.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.91 -32.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.43 -55.94 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.9 -31.33 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.17 -51.21 68.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.676 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.6 t -73.81 -30.76 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -39.07 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.63 -31.1 67.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -78.29 -29.65 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 -40.7 35.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.9 mm-40 -58.16 -64.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -29.27 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -27.91 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.9 mt -75.02 -69.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.296 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -53.61 -25.05 15.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -66.21 -44.54 83.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 27.5 mt -92.59 -35.4 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -73.16 -55.81 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 4.1 pt20 -63.34 -26.11 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.3 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.821 0.343 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.52 -38.41 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -61.77 -32.4 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.53 -31.81 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.802 HG13 HD12 ' A' ' 63' ' ' LEU . 29.5 t -65.03 -33.84 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -77.7 -27.24 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.5 m -79.51 -41.44 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 22' ' ' VAL . 8.9 p -68.87 -40.61 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -65.67 -45.12 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.209 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 22' ' ' VAL . 13.1 pt-20 -66.44 -32.75 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.36 -35.5 75.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 28' ' ' LEU . . . -76.98 -5.17 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.53 21.76 8.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.775 0.322 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -118.56 -15.1 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.462 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.767 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -114.88 164.01 17.92 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.731 0.301 . . . . 0.0 110.787 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.77 170.0 2.96 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.539 2.159 . . . . 0.0 112.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.96 -24.35 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -53.66 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.57 -28.79 26.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -59.09 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -27.21 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -63.36 -42.04 98.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.207 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mm -71.81 -49.41 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.292 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.7 -29.57 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -53.8 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -59.63 -30.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.53 -42.62 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -66.52 -30.48 70.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -84.48 -47.3 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.89 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 59' ' ' VAL . 60.4 m95 -97.81 51.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.02 120.08 41.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HG3' ' HB1' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -54.93 -30.98 71.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.441 2.094 . . . . 0.0 112.271 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -34.91 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -79.39 -34.72 41.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.69 155.15 91.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.13 -61.84 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.604 2.203 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.95 104.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -166.92 109.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.19 -61.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -51.29 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.07 -41.27 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB1' ' HG3' ' A' ' 46' ' ' PRO . . . -72.49 -55.08 7.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.44 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -52.32 -38.99 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.246 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.08 -54.71 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.9 t -69.74 -36.87 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -60.32 -58.23 9.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.55 -37.81 85.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.802 HD12 HG13 ' A' ' 18' ' ' VAL . 2.0 tp -67.96 -51.5 46.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' ILE . 11.8 tt0 -64.42 -30.46 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -29.02 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.753 ' OE1' HG12 ' A' ' 18' ' ' VAL . 3.9 mt-10 -67.69 -29.34 68.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.5 mt -64.23 -68.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -56.24 -29.38 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -61.74 -41.84 98.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 22' ' ' VAL . 72.7 mt -92.34 -35.95 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.7 92.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.18 -55.59 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 5.1 pt20 -57.77 -26.2 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.553 HG23 ' CZ2' ' A' ' 44' ' ' TRP . 30.4 mm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.6 mm? -64.67 -45.55 86.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.99 -30.64 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.9 tp10 -67.05 -31.71 72.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 21' ' ' VAL . 21.7 t -74.69 -27.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -75.73 -29.54 58.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -81.78 -39.19 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 17' ' ' GLU . 35.0 m -68.72 -41.73 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.315 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG11 ' OE1' ' A' ' 66' ' ' GLU . 11.0 p -63.41 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.9 pt-20 -63.95 -35.59 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.64 -30.89 26.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -66.73 -22.62 66.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.398 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.44 21.08 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -111.81 -22.75 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -101.77 166.95 11.29 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.789 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.97 174.32 11.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -53.63 -24.95 15.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -59.82 -64.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.2 -35.69 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -51.85 -54.08 33.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -58.34 -25.75 62.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.326 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -77.91 -6.54 54.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.783 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.766 HG21 ' HB2' ' A' ' 25' ' ' ALA . 24.1 mm -95.66 -33.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.711 0.291 . . . . 0.0 111.385 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.4 mp -85.39 -39.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.293 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -26.86 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.068 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -80.3 -46.79 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.189 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.76 -32.52 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -71.71 -34.28 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.01 29.28 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -133.05 -43.83 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.777 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 92.0 m95 -97.47 30.67 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -90.05 122.68 67.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.751 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.3 -37.12 80.64 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.479 2.12 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.95 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 39.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.008 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 54.5 m-20 -130.87 151.21 78.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.42 -62.15 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 112.379 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -144.72 -43.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.191 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HB2' HD12 ' A' ' 55' ' ' ILE . 15.4 p-10 -53.21 90.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.94 -21.3 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.05 -56.01 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.968 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.538 HD12 ' HB2' ' A' ' 52' ' ' ASN . 2.0 mt -56.11 -25.53 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . . . -75.02 -35.02 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -47.23 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 59' ' ' VAL . 7.3 pt-20 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.777 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.8 t -88.28 -35.19 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.4 t80 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -30.09 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.46 -33.61 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 71.7 mt-30 -53.41 -30.25 39.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.242 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.06 -35.79 28.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG11 ' A' ' 22' ' ' VAL . 10.3 mm-40 -60.48 -25.21 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.48 -67.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -54.86 -27.03 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -49.83 75.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 22' ' ' VAL . 44.7 mt -89.32 -30.7 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.21 -29.99 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -82.71 -44.83 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.75 -29.66 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.059 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.8 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.708 0.29 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -64.15 -53.5 48.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.61 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.62 -40.07 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.0 t -67.81 -28.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.3 m -64.62 -25.16 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m -84.9 -47.68 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 18' ' ' VAL . 11.3 p -67.72 -37.03 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.271 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 18' ' ' VAL . 13.2 p -63.75 -44.66 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.2 pt-20 -69.87 -36.4 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.04 -15.77 63.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -92.71 -6.59 48.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.655 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -94.94 27.09 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.756 0.312 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 4.61 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.98 155.99 35.88 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.724 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.16 -61.87 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.531 2.154 . . . . 0.0 112.214 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -178.77 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.9 m -53.27 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.11 -25.98 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -56.88 -66.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -57.28 -22.46 41.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.315 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -67.83 -30.9 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.282 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 25' ' ' ALA . 30.0 mm -68.37 -37.42 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.224 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.1 mp -76.66 -32.97 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.06 -29.35 68.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -30.76 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.17 -30.89 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -72.39 -38.47 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.024 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -95.33 20.27 9.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 -40.55 1.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.7 m95 -96.08 25.08 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.418 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 7.9 t-80 -75.44 139.55 71.5 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 69.4 Cg_endo -74.35 -40.93 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.092 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.77 -30.69 70.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -85.05 -40.27 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -79.25 111.98 24.66 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.34 -43.29 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.424 2.083 . . . . 0.0 112.392 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.11 -59.71 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.6 81.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -81.94 -54.72 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.63 -33.67 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.795 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.85 -42.97 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.77 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -33.36 75.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.26 -52.89 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.636 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -69.62 -32.23 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.94 -40.72 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.84 76.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.007 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HD12 ' A' ' 15' ' ' LEU . 15.5 t60 -66.37 -35.02 79.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.87 -62.11 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -59.7 -47.62 84.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -27.68 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -77.55 -10.84 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -81.54 -42.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -63.33 -37.99 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -31.23 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 72.3 mt -94.75 -46.77 6.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.38 -29.87 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -63.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.61 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.767 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.8 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.792 0.329 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.24 -46.12 35.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -59.71 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -66.07 -38.25 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 14' ' ' ILE . 28.5 t -71.93 -25.96 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -80.49 -20.65 43.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -87.32 -30.73 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.76 -37.44 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -63.12 -44.99 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -71.65 -28.18 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.75 -20.62 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -93.21 -10.5 35.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.58 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 26.59 3.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 111.285 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.77 8.8 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -104.72 156.29 36.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.64 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 28' ' ' LEU . 10.8 Cg_endo -53.38 -63.28 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.537 2.158 . . . . 0.0 112.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.79 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.036 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -55.11 -65.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -24.69 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' LEU . 27.9 ttp180 -57.88 -70.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -55.77 -23.52 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.415 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -63.26 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.139 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.505 ' O ' HD23 ' A' ' 40' ' ' LEU . 35.8 mm -64.74 -42.9 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.576 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.7 mp -80.42 -30.08 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.21 -30.33 71.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -47.27 14.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.3 mm? -60.65 -44.98 95.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -67.29 -31.83 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.09 34.47 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 -42.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 79.7 m95 -95.11 31.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -85.33 126.29 67.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.63 -23.48 74.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -34.73 61.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mmpp? -101.22 30.24 4.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -137.87 78.58 35.53 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.83 -27.78 85.72 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.697 2.265 . . . . 0.0 112.614 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.8 -48.03 3.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.37 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -84.81 61.06 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.398 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.72 -17.17 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.48 -39.06 17.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.5 mm -65.24 -43.33 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.16 -35.03 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -47.86 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.2 t -70.4 -31.53 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -37.83 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.45 -40.92 88.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.37 -30.96 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.47 -29.07 68.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -91.0 -36.84 13.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.07 91.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.9 -27.58 68.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.36 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.29 -30.8 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -59.63 -46.59 88.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -87.14 -45.31 10.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.79 -29.01 58.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -59.93 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -57.17 -42.98 82.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.847 0.356 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -130.37 -50.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 59.46 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -120.58 -53.44 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.79 144.38 4.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -144.23 152.35 40.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -108.16 112.4 24.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.81 88.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.782 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 t -138.75 88.04 14.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.18 167.44 24.98 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.573 2.182 . . . . 0.0 112.331 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -69.9 -30.81 68.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.79 35.87 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.566 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 m 58.26 60.33 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.93 0.395 . . . . 0.0 110.941 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.635 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.4 mm -112.37 -28.36 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 15' ' ' LEU . 2.7 mm? -82.09 -48.06 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.028 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt -58.0 -28.18 64.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.173 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.6 -37.63 65.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.0 t -71.09 -29.9 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -71.43 -23.29 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.214 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.9 m -86.53 -47.85 8.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.137 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.0 p -66.15 -28.25 43.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.407 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.9 p -73.92 -39.75 51.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.342 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.97 -29.33 61.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -29.91 64.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.566 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -82.76 -5.49 58.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.592 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.435 ' CZ2' ' HB2' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -93.09 20.88 6.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.642 0.258 . . . . 0.0 111.382 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -109.48 -28.89 8.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.933 0.397 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.01 155.77 90.14 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.761 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -55.45 -72.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.657 2.238 . . . . 0.0 112.317 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -163.01 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.28 -64.74 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -75.95 -24.59 55.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.72 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -56.01 -65.94 0.51 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -61.22 -25.13 66.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -58.25 -34.77 70.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.122 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.9 mm -70.3 -41.02 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.259 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.1 mm -65.16 -30.71 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -31.53 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -48.29 57.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -73.63 -31.3 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -66.59 -30.61 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.976 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.2 mt -96.97 -38.14 9.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -40.13 96.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.0 m95 -97.99 34.99 1.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.982 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 t-80 -89.28 140.83 28.73 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 41.9 Cg_endo -67.31 -36.48 20.71 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.468 2.112 . . . . 0.0 112.26 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -69.0 -30.72 69.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -32.3 32.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -59.7 145.1 84.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.46 -46.11 0.51 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.557 2.172 . . . . 0.0 112.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -151.03 37.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -122.63 74.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.0 -50.55 12.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -41.73 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.98 -31.35 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.97 -45.1 14.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -60.3 -31.54 70.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -57.16 10.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -61.07 -31.14 49.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.35 -38.99 88.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -59.71 -39.37 84.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -77.3 -29.49 53.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.5 tp -76.07 -44.07 40.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.678 ' HA ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -57.0 -51.56 68.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -69.07 -26.4 64.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.166 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -70.31 -25.57 63.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.395 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 64' ' ' GLN . 4.4 mt -78.18 -68.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.499 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.19 -32.89 50.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.353 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -59.89 -42.52 93.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.008 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 26' ' ' TRP . 95.5 mt -92.43 -30.71 15.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -29.7 70.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.125 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.419 ' HG3' HD13 ' A' ' 76' ' ' LEU . 10.6 ttpt -83.01 -45.87 13.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.028 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -29.43 64.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.051 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -95.17 41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.522 ' HB3' HD12 ' A' ' 76' ' ' LEU . 5.8 t80 -164.25 -43.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 75' ' ' PHE . 6.2 mp -97.16 92.92 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -153.04 109.63 3.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.16 88.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -155.23 60.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.5 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -88.2 -171.81 3.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -132.0 55.98 1.85 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.428 ' HB2' HD23 ' A' ' 76' ' ' LEU . . . 61.48 36.34 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 m -80.18 -47.99 13.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 63.49 125.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -147.05 36.74 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.09 -59.04 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.93 0.395 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -174.91 80.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.56 -51.47 2.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.08 116.2 16.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -109.93 -39.57 5.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -111.74 162.52 15.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -114.29 -178.68 3.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.0 mp -92.2 -40.93 10.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 9' ' ' VAL . 30.2 m -106.88 123.38 38.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.17 92.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.508 2.139 . . . . 0.0 112.276 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -49.55 61.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.51 -27.97 3.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.4 p 58.7 -169.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mm 69.9 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.5 mm? -54.76 -29.66 54.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -31.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -77.37 -35.6 54.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.6 t -65.81 -28.02 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.245 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -70.11 -20.25 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.276 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -87.66 -46.48 9.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.707 0.289 . . . . 0.0 111.164 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.6 m -60.13 -37.62 73.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.364 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.5 p -62.25 -45.03 99.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.357 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 6.1 pt-20 -70.76 -28.12 64.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.154 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -85.67 -32.34 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.007 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.03 -42.24 66.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.247 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -58.15 -26.94 63.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.161 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -57.46 -29.14 63.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.37 153.63 59.16 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.818 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.69 -70.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.736 2.291 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 12.9 pt-20 -167.24 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 p -53.6 -54.76 33.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -86.77 -17.53 33.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.622 ' HD2' HD13 ' A' ' 37' ' ' ILE . 7.1 tmm_? -68.76 -53.04 24.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.794 0.33 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -21.72 25.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.547 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.9 mttm -63.05 -23.51 67.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.409 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.556 ' N ' HD12 ' A' ' 36' ' ' ILE . 4.0 mp -92.74 -32.12 4.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.778 0.323 . . . . 0.0 111.399 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.622 HD13 ' HD2' ' A' ' 33' ' ' ARG . 4.3 mp -86.26 -39.75 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -68.85 -31.09 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -70.87 -47.33 59.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.66 -30.52 64.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -70.26 -39.11 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.021 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.9 mt -96.3 20.72 10.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.221 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.76 -33.86 2.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.685 ' CH2' HG21 ' A' ' 59' ' ' VAL . 46.3 m95 -95.54 36.12 1.29 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -81.1 123.83 81.55 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.668 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.7 -46.16 35.75 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.434 2.089 . . . . 0.0 112.327 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -46.88 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.1 -31.99 70.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.006 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -74.34 152.49 87.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.77 -62.55 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.221 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -160.06 106.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.472 ' HB2' HD12 ' A' ' 55' ' ' ILE . 44.3 p-10 -177.72 97.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -94.75 -14.2 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.416 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.03 -43.0 5.39 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.85 0.357 . . . . 0.0 111.063 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.472 HD12 ' HB2' ' A' ' 52' ' ' ASN . 4.3 mt -64.05 -43.8 97.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.83 -44.57 66.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -61.2 -38.82 87.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.029 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.27 -51.4 69.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.081 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.685 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.6 t -68.68 -32.02 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.234 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -36.89 75.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -60.15 -38.81 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.401 ' CD2' ' OE2' ' A' ' 66' ' ' GLU . 18.5 t60 -83.16 -36.72 24.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.14 -36.38 77.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -80.9 -35.94 31.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.73 -30.75 68.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' OE2' ' CD2' ' A' ' 62' ' ' HIS . 62.0 mt-10 -66.7 -28.45 68.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.04 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.6 mt -65.99 -67.9 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.93 -28.08 55.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -59.31 -45.28 91.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.441 ' HB3' ' CE2' ' A' ' 26' ' ' TRP . 81.0 mt -93.14 -37.71 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.035 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -25.78 59.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.064 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -84.48 -56.86 3.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -29.0 67.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.006 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.86 -30.03 50.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.245 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -78.29 -68.07 0.67 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.023 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 76' ' ' LEU . 8.0 mp -60.25 -65.6 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.4 t0 61.29 65.66 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.814 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -141.14 124.93 16.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -141.69 149.39 40.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.68 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.49 -48.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -89.1 -53.64 4.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.24 171.48 13.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 t -157.34 104.11 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.5 32.79 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.76 -43.6 5.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.981 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.5 m -132.99 138.7 46.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.91 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 120.671 0.272 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.14 -54.12 7.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.863 0.364 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 166.06 13.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -139.1 141.55 38.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -130.47 -74.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -141.27 167.86 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 60.36 88.54 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.2 mt -103.51 113.3 26.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -149.34 151.45 33.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.6 146.12 60.22 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.528 2.152 . . . . 0.0 112.326 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -82.37 -47.76 11.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.86 -38.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.558 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.483 ' O ' HD13 ' A' ' 14' ' ' ILE . 0.8 OUTLIER 60.59 58.35 2.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.831 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.5 mm -133.35 -45.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.2 mm? -65.38 -30.84 71.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -70.47 -27.54 64.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.185 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -86.17 -31.18 21.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.061 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 14' ' ' ILE . 22.0 t -67.45 -29.44 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -76.9 -22.93 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.301 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.9 t -87.46 -42.49 12.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 111.179 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.96 -28.55 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.354 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -72.52 -44.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.225 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 21.8 pt-20 -70.45 -34.1 72.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.996 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -64.74 -29.33 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -71.8 -42.88 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.242 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -50.19 -27.13 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.385 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mmtt -58.11 -27.77 64.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.973 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.8 OUTLIER -85.18 154.17 60.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.934 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -56.57 -74.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 1.4 pt-20 -162.88 -43.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.776 0.322 . . . . 0.0 111.075 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.84 -59.94 3.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.06 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 36' ' ' ILE . 6.0 tt0 -79.51 -26.93 41.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -57.87 -58.55 7.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.03 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -55.9 -22.33 25.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.375 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -24.75 67.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.276 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.78 ' O ' HD23 ' A' ' 40' ' ' LEU . 3.8 mp -91.85 -34.86 6.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.235 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.549 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.6 mp -83.26 -29.7 8.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.143 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -76.5 -39.28 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -74.52 -37.46 63.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' O ' ' A' ' 36' ' ' ILE . 3.5 mm? -64.56 -45.32 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -60.26 -42.48 95.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.7 mt -78.87 -31.45 45.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -29.67 59.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.694 ' CD2' HG11 ' A' ' 59' ' ' VAL . 57.0 m95 -96.86 39.0 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -101.48 139.52 20.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -73.89 -44.35 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.489 2.126 . . . . 0.0 112.37 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -29.33 69.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -98.1 32.95 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -140.33 153.94 69.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.47 -64.21 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.521 2.148 . . . . 0.0 112.371 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -160.0 108.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.931 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -177.62 93.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -92.32 -56.4 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -58.22 -37.78 75.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.739 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.1 mt -73.08 -47.11 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.37 -25.55 67.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.307 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.92 -52.18 5.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.414 ' OE1' HD21 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -55.78 -29.78 60.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.197 -179.741 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 55' ' ' ILE . 41.1 t -84.44 -32.63 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.39 -41.16 93.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -59.99 -52.19 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.969 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' CD2' HD12 ' A' ' 15' ' ' LEU . 21.7 t60 -65.38 -37.23 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.945 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.27 -50.54 67.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.961 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -43.85 93.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.97 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -29.48 70.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' OE1' HG12 ' A' ' 18' ' ' VAL . 6.1 mt-10 -71.11 -10.7 60.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.536 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 22.7 mm -86.57 -58.45 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.744 0.307 . . . . 0.0 111.551 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -59.17 -38.95 80.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.459 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -59.58 -34.38 72.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.115 -179.622 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 26' ' ' TRP . 31.9 mt -93.6 -52.05 4.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.88 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -54.35 -29.94 49.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.213 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -64.9 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.91 -29.8 69.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.062 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -76.68 -28.41 55.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.286 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -94.25 -57.88 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.027 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -51.86 67.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.996 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.8 t70 69.75 -65.01 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -54.88 138.13 43.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -73.45 106.05 5.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -112.18 140.01 47.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -155.96 81.13 1.0 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -115.46 68.06 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -133.07 125.01 28.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.6 t 63.17 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -138.79 -64.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -144.17 -58.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.6 m -125.13 -60.78 1.33 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.935 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.07 138.01 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.72 107.91 12.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -125.21 104.84 8.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 138.99 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -100.76 171.62 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.564 ' O ' HD22 ' A' ' 8' ' ' LEU . 1.5 t60 -144.16 -47.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.564 HD22 ' O ' ' A' ' 7' ' ' HIS . 0.5 OUTLIER -139.84 85.48 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.7 t -70.12 111.4 9.13 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.54 148.76 92.85 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.501 2.134 . . . . 0.0 112.244 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -98.88 -30.71 12.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.774 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -151.48 61.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.38 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.0 t -58.77 -32.58 69.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.11 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm -102.32 -32.68 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.252 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.2 mp -70.46 -30.12 66.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -67.06 -29.79 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.99 -31.24 22.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.006 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.1 t -72.35 -28.92 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.3 m -70.02 -22.03 63.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.305 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.6 t -90.94 -56.34 3.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' ' 18' ' ' VAL . 9.9 p -57.33 -25.29 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.516 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -75.75 -41.7 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.334 . . . . 0.0 111.258 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' N ' HG13 ' A' ' 22' ' ' VAL . 5.2 pt-20 -77.58 -28.79 51.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -65.16 -45.98 82.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.073 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.688 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -63.21 -34.28 77.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.341 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.566 ' HH2' HG23 ' A' ' 67' ' ' ILE . 0.7 OUTLIER -63.6 -28.9 70.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.989 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -21.32 66.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.126 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD23 ' HA ' ' A' ' 25' ' ' ALA . 2.4 mm? -83.49 156.14 65.67 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -56.01 -59.68 0.66 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.744 2.296 . . . . 0.0 112.214 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -178.73 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.762 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -54.84 -60.48 3.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.733 ' O ' HD12 ' A' ' 36' ' ' ILE . 1.1 mt-10 -72.85 -33.06 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 37' ' ' ILE . 30.9 ttp180 -51.55 -67.24 0.27 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.068 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.72 -25.92 12.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -60.44 -30.26 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -86.54 -38.63 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.09 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 33' ' ' ARG . 5.0 mp -71.59 -27.13 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.6 ptt85 -78.35 -39.83 38.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -75.11 -39.23 60.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.2 mm? -69.17 -31.09 69.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -79.71 -31.31 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.983 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 mt -87.64 -30.02 20.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -76.26 -37.11 58.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.042 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 70.4 m95 -96.19 42.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -100.02 139.6 20.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.842 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.72 -27.47 21.87 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.476 2.117 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.6 -42.88 81.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -101.55 45.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -149.7 165.23 18.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.89 -159.64 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.652 2.235 . . . . 0.0 112.248 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.66 59.58 4.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.1 p-10 -123.13 101.14 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -94.63 -38.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -82.25 -48.71 10.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mp -57.49 -26.55 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.95 -41.85 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.178 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -68.17 -38.29 81.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.019 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.68 -41.02 85.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.418 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 22.7 t -79.9 -31.03 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -67.64 -46.6 72.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 2.2 t60 -58.82 -30.08 67.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.035 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.6 tp -78.53 -60.74 2.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.86 ' HA ' HD12 ' A' ' 67' ' ' ILE . 29.5 mt-30 -54.48 -26.08 29.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.96 -27.82 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.089 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.403 ' HB3' HG21 ' A' ' 22' ' ' VAL . 4.2 mm-40 -78.24 -29.22 48.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.167 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.86 HD12 ' HA ' ' A' ' 64' ' ' GLN . 11.5 mt -65.29 -64.67 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.167 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -53.11 -25.22 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.233 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -63.11 -49.28 75.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB2' ' CE2' ' A' ' 26' ' ' TRP . 1.5 mt -92.67 -42.03 9.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.65 -24.05 45.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.081 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HG3' HD13 ' A' ' 76' ' ' LEU . 12.2 ttpt -85.55 -48.3 9.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 74' ' ' ALA . 3.5 pp0? -72.31 -28.64 63.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.016 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB2' ' NE2' ' A' ' 73' ' ' GLN . . . -99.47 43.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -165.5 -61.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.97 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.456 HD13 ' HG3' ' A' ' 72' ' ' LYS . 8.6 mp -59.84 90.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.896 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -136.24 -63.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 62.92 -79.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.89 68.12 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.831 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.65 67.99 0.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 t70 68.55 -67.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.52 -70.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -157.62 -45.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.09 -66.19 0.26 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 63.79 139.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.847 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -75.32 -71.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.3 p -124.5 -57.42 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.928 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.801 0.334 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -122.36 36.84 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.91 75.97 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -131.27 6.36 4.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.465 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 67.14 -70.35 0.11 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.764 0.316 . . . . 0.0 111.047 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.7 p-80 -165.9 171.64 12.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.795 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -149.41 137.33 20.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.978 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -134.9 150.82 50.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.52 142.21 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.13 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.61 104.69 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.494 2.129 . . . . 0.0 112.217 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -37.08 74.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -110.87 -72.79 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.577 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.414 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -174.9 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.35 . . . . 0.0 110.91 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.798 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.1 mm 68.72 -69.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.1 mm? -62.95 -72.05 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 13' ' ' SER . 4.1 pttt -55.05 -24.26 24.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -67.28 -30.06 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 14' ' ' ILE . 16.2 t -71.57 -37.23 62.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 m -68.69 -28.36 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -81.13 -47.07 13.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.023 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG22 ' CG2' ' A' ' 36' ' ' ILE . 9.1 p -63.7 -43.43 98.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.218 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.6 p -59.28 -44.89 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.239 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' HG13 ' A' ' 22' ' ' VAL . 16.9 pt-20 -69.99 -31.17 68.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.976 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -72.0 -30.57 65.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.51 -36.55 57.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.176 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -27.12 49.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mttt -57.25 -29.23 63.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.31 154.02 66.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -55.88 -73.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.42 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -165.11 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 111.173 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -49.35 69.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.092 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -93.49 -21.87 19.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.407 ' O ' HD12 ' A' ' 37' ' ' ILE . 1.2 ttm180 -63.37 -52.46 61.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.88 0.371 . . . . 0.0 111.1 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -61.71 -22.61 65.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.393 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -58.93 -31.21 68.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.096 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 36' ' ' ILE . 4.1 mp -79.76 -48.45 20.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.061 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.606 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.3 mp -65.5 -26.78 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.072 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HG2' HD12 ' A' ' 42' ' ' LEU . 1.3 ttp85 -77.3 -33.31 55.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 47.5 mtm180 -76.26 -34.05 59.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HB3' HD11 ' A' ' 63' ' ' LEU . 4.2 mm? -81.42 -31.8 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -75.99 -31.89 59.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD12 ' HG2' ' A' ' 38' ' ' ARG . 37.6 mt -98.68 30.41 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.37 -42.66 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.7 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.1 m95 -95.46 35.0 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.431 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 1.6 t-80 -91.68 142.36 26.64 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.776 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 47.0 Cg_endo -68.53 -26.84 33.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.45 2.1 . . . . 0.0 112.304 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.68 -30.9 46.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.1 mttp -106.76 39.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -143.26 163.36 37.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -57.84 -158.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.601 2.2 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -9.79 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.393 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -53.14 97.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.816 0.341 . . . . 0.0 111.122 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -94.65 -30.55 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.073 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -82.14 -36.52 27.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.014 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.43 -48.47 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.227 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -47.05 87.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -63.19 -37.76 88.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -59.69 -59.72 4.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.7 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -60.32 -42.88 92.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.443 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.8 t80 -65.37 -35.41 80.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -29.84 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.081 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -91.98 -28.71 17.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 40' ' ' LEU . 1.2 tt -77.29 -57.48 3.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 67' ' ' ILE . 7.3 mt-30 -57.23 -22.26 39.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.372 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -93.87 -22.06 18.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.359 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.04 -28.61 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.735 0.302 . . . . 0.0 111.225 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 64' ' ' GLN . 10.9 mt -67.28 -63.93 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.333 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -55.19 -30.58 60.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -60.06 -53.02 62.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.7 mt -79.14 -44.72 21.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.53 -26.39 61.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -63.66 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -58.6 -32.9 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.34 -28.96 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.229 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.46 -35.81 80.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.7 mp -58.75 -61.04 2.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -77.38 93.77 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -151.06 -66.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.48 -37.19 6.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 61.29 -174.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -118.6 -72.14 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.86 120.72 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -110.49 158.28 18.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.0 m -117.63 -39.92 3.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 63.61 142.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -141.22 176.69 8.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.3 m 60.21 97.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.963 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.762 0.315 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -137.37 113.29 9.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -145.37 -48.17 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -149.7 76.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -149.49 131.48 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.81 31.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -93.94 143.79 26.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mp -139.97 -84.73 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.497 ' HB ' ' HD3' ' A' ' 10' ' ' PRO . 6.5 t -90.75 -47.99 0.36 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.647 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.497 ' HD3' ' HB ' ' A' ' 9' ' ' VAL . 94.5 Cg_endo -84.91 178.94 4.49 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.403 2.069 . . . . 0.0 112.493 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.07 77.38 1.79 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.57 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 111.08 -18.99 25.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.486 ' O ' HD13 ' A' ' 14' ' ' ILE . 63.5 m 62.73 80.59 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.885 0.374 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.607 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.3 mm -134.18 -49.8 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -71.78 -42.88 66.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -59.56 -30.57 68.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.019 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.84 -30.74 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 14' ' ' ILE . 31.3 t -81.0 -27.13 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.252 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -77.62 -22.59 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.314 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -87.44 -37.83 16.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -78.8 -28.58 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.388 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.46 -34.18 60.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.253 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.48 -28.48 34.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -71.39 -36.37 71.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.036 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.411 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -65.98 -34.77 78.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -25.71 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -58.68 -28.95 66.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.5 OUTLIER -86.79 153.33 55.01 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_endo -56.63 -75.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.789 2.326 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -160.55 -43.81 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m -54.78 -51.38 65.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' O ' HD12 ' A' ' 36' ' ' ILE . 42.8 mt-10 -88.28 -22.71 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.031 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.98 -53.34 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -58.74 -25.95 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -29.65 64.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.5 mp -90.13 -31.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.065 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.6 mm -76.88 -41.84 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -71.24 -33.97 70.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.45 -56.45 21.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.784 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.14 -40.74 82.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -59.73 -30.5 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 80.5 mt -97.32 -31.16 12.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -36.09 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.764 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 55.9 m95 -97.25 39.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.13 128.55 47.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.49 -39.17 83.17 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.472 2.115 . . . . 0.0 112.234 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.69 -33.77 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -74.45 -38.25 63.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -73.92 151.56 88.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.78 -62.01 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.555 2.17 . . . . 0.0 112.32 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.68 90.93 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.645 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 19.2 p-10 -138.88 86.28 2.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.821 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.1 -6.97 58.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.427 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.32 -49.42 2.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.799 0.333 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 8.6 mt -60.19 -33.16 52.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.645 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -77.72 -53.83 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -54.9 -39.05 68.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.05 -58.49 8.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.764 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -60.76 -34.82 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.192 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -40.11 71.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.806 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -59.59 -42.07 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.468 ' CD2' HD12 ' A' ' 15' ' ' LEU . 33.0 t60 -81.11 -31.41 34.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.797 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.3 tp -66.04 -33.6 76.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -83.21 -41.34 18.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -37.02 77.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -25.29 67.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.958 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.3 mm -64.93 -64.23 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.139 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -53.23 -28.47 27.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.04 -46.18 85.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 73.7 mt -93.13 -35.02 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -17.91 62.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.242 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -92.33 -60.4 1.85 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.64 -30.59 70.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -97.35 45.36 1.04 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.189 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -156.51 -45.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.39 -31.29 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.96 91.41 3.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -161.11 36.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -60.02 112.1 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.16 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.88 106.65 8.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -111.85 -52.46 2.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 59.87 109.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.66 -67.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.73 128.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.43 119.99 20.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 43.4 m 66.47 -71.65 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.91 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.08 121.43 10.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 63.55 140.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -112.94 -172.92 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.1 m170 62.68 100.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.47 154.28 22.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -92.55 -53.31 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 8' ' ' LEU . 3.7 mm? 62.59 119.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 9' ' ' VAL . 18.6 m -136.0 97.49 12.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -49.75 128.73 22.12 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.55 2.167 . . . . 0.0 112.378 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.56 97.3 6.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.42 -11.08 72.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.773 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' HD13 ' A' ' 14' ' ' ILE . 13.6 m 66.48 30.45 8.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.934 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.596 ' O ' HG23 ' A' ' 18' ' ' VAL . 28.3 mm -130.1 -44.35 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.73 -33.17 69.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -60.13 -30.95 69.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -88.2 -31.06 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -71.49 -31.2 42.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.077 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.8 m -72.14 -25.9 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -83.07 -43.01 16.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.029 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -69.28 -35.86 69.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.314 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG11 ' OE2' ' A' ' 66' ' ' GLU . 11.7 p -68.81 -45.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.217 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' N ' HG13 ' A' ' 22' ' ' VAL . 10.3 pt-20 -62.9 -32.69 74.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.869 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.25 -30.34 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -71.86 -18.28 62.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.474 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -93.56 22.79 5.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.189 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -111.59 -22.83 11.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.983 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.07 166.79 12.07 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.6 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.82 171.32 13.61 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.068 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -54.32 -24.2 18.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.257 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -64.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -82.87 -36.09 25.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -50.18 44.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -26.93 67.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.28 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -70.55 -34.32 72.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.138 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG21 ' HB2' ' A' ' 25' ' ' ALA . 27.1 mm -68.43 -51.76 43.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.239 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.0 mm -61.2 -30.32 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.061 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -67.17 -29.98 69.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.035 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.88 -40.65 65.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.032 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.39 -39.27 54.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -64.51 -30.81 71.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.034 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.5 mt -88.82 -40.91 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HD3' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.59 -30.01 70.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.029 -179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 86.0 m95 -107.71 49.68 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -102.6 133.97 20.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.791 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.75 -26.68 45.19 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.421 2.081 . . . . 0.0 112.384 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -73.48 -26.22 60.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.096 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 33.47 4.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.188 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -106.11 151.7 40.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.19 -51.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.588 2.192 . . . . 0.0 112.398 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -177.34 39.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.089 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -126.33 90.6 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -89.61 -31.19 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.84 -35.89 50.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.964 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 59' ' ' VAL . 30.1 mm -74.45 -39.11 47.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.37 79.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.28 -41.12 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.79 -45.54 94.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 55' ' ' ILE . 28.9 t -71.81 -30.75 38.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.8 -34.81 67.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -60.06 -53.76 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.029 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -61.97 -30.1 70.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -65.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.26 -47.83 74.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -26.84 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' OE2' HG11 ' A' ' 22' ' ' VAL . 5.1 mt-10 -80.37 -24.61 39.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.158 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 42.4 mt -68.77 -38.26 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.263 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -85.26 -29.93 24.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.1 -40.2 82.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.208 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.7 mt -85.76 -41.92 14.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.168 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.55 -30.56 71.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -54.83 6.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -57.14 -25.78 59.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.183 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.81 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.178 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -149.0 -46.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.014 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.16 73.4 8.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -136.94 106.37 6.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.02 -68.92 0.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 63.21 100.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 60.86 156.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -173.0 -71.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? 56.44 100.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.9 114.28 2.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.93 167.13 0.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 68.52 -67.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -102.95 118.08 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.0 p -111.58 -34.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.912 179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.874 0.369 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -149.33 30.2 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.444 ' CD2' HG12 ' A' ' 9' ' ' VAL . 8.6 m-70 -151.51 -178.53 6.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -156.99 -48.23 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -147.2 -66.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.48 170.91 15.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' HB3' ' CE1' ' A' ' 3' ' ' HIS . 0.2 OUTLIER 60.87 158.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.78 139.54 21.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' VAL . 10.8 p -122.29 122.75 27.37 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.25 149.32 63.61 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.405 2.07 . . . . 0.0 112.323 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -66.6 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.24 -34.61 13.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.681 ' O ' HD13 ' A' ' 14' ' ' ILE . 53.8 p 54.44 71.41 0.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.861 0.362 . . . . 0.0 111.091 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.879 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.2 mm -139.04 -51.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.71 -46.45 89.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -30.61 68.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -80.38 -31.97 37.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.5 t -68.52 -29.52 44.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HG12 ' A' ' 22' ' ' VAL . 59.8 m -73.99 -24.77 59.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.2 m -81.84 -38.45 25.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.3 p -77.67 -34.11 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.342 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.8 p -69.75 -40.36 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.809 0.337 . . . . 0.0 111.221 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.41 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.35 -28.09 69.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -75.47 -37.67 60.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.87 -40.93 85.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -43.59 98.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -58.1 -63.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -55.91 158.53 6.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.969 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -66.81 173.01 8.73 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.487 2.125 . . . . 0.0 112.193 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.16 -19.35 61.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -54.17 -65.41 0.58 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.252 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.501 ' HB2' HD13 ' A' ' 28' ' ' LEU . 2.5 mt-10 -76.43 -40.21 51.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.005 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.428 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 4.9 ttp180 -46.71 -46.98 20.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.405 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -22.31 48.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -90.59 -32.43 16.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.137 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.1 mm -68.25 -48.02 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.253 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.7 mm -66.73 -29.25 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.316 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -81.55 -30.04 33.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.995 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.93 -59.21 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.968 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.34 -42.52 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -61.79 -41.49 97.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.036 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -79.3 -32.78 43.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.38 -37.01 68.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 44.5 m95 -97.68 51.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.94 136.32 19.75 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.17 -35.86 6.36 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.393 2.062 . . . . 0.0 112.27 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.9 -37.65 77.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.53 -32.15 20.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -81.5 163.57 53.71 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.72 -159.62 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.225 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.48 71.33 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -112.82 103.58 11.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -93.79 -7.41 43.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.422 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -123.13 -46.15 2.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.849 0.357 . . . . 0.0 110.971 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.7 mt -64.33 -22.66 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.294 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -101.47 -27.44 13.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.295 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.04 -43.59 13.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.183 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.09 -40.18 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.148 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 38.2 t -74.78 -39.37 45.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -38.57 87.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -60.28 -53.95 51.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -66.55 -33.14 75.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.71 -62.15 1.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -43.58 96.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -58.37 -35.97 72.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.28 -25.45 66.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.054 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.9 mm -65.34 -64.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.35 -27.21 22.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -50.34 74.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.7 mt -92.71 -40.82 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -22.53 40.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.214 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -83.8 -55.83 4.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -28.59 64.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.39 45.62 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -152.05 -44.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.009 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 76' ' ' LEU . 8.3 mp -81.04 57.72 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 62.58 138.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 57.01 176.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -101.26 -47.79 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -101.56 130.98 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.037 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -121.75 -50.98 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 60.22 106.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.21 -36.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.51 158.01 0.19 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.807 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.9 mtt85 -98.15 26.97 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.005 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.38 -169.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.041 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 87' ' ' THR . 2.8 t -82.91 91.36 7.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.957 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.848 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' ' CD2' ' A' ' 2' ' ' HIS . 9.6 mtt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.796 0.331 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.41 ' CD2' ' HB3' ' A' ' 1' ' ' MET . 64.5 m-70 -142.24 134.21 27.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.37 118.87 31.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -131.62 161.83 31.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -108.21 -47.01 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -120.23 141.99 49.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -168.38 -49.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 pp -67.84 -28.21 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.005 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.39 109.33 1.61 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.17 146.56 22.89 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.416 2.077 . . . . 0.0 112.422 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -137.91 -46.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.3 -27.42 10.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m 61.0 -175.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.8 mm 70.02 -63.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.239 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.7 mp -50.78 -29.82 12.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.7 pttt -68.35 -31.25 70.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.46 -31.27 33.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.18 -29.7 43.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -78.08 -25.08 47.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 70.3 m -84.09 -36.75 22.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.9 p -79.02 -33.65 16.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.7 p -66.02 -43.56 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.06 -29.9 68.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.83 -32.12 65.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -79.32 -44.65 21.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' CZ2' ' OE2' ' A' ' 71' ' ' GLU . 3.4 t-105 -55.42 -26.36 41.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.85 -29.87 67.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.807 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 32' ' ' GLU . 0.7 OUTLIER -80.62 154.27 73.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -55.81 -67.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.801 2.334 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -172.93 -40.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.022 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 p -56.52 -49.19 75.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HB3' HD22 ' A' ' 28' ' ' LEU . 16.2 mt-10 -91.62 -11.14 37.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.236 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HB2' ' HB2' ' A' ' 28' ' ' LEU . 6.6 tmm_? -80.03 -51.38 9.11 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.863 0.364 . . . . 0.0 111.113 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -43.52 74.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.468 -179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -54.09 -24.27 16.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.396 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.505 HG21 ' HB2' ' A' ' 25' ' ' ALA . 11.4 mm -81.11 -46.81 20.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.2 mm -66.98 -32.59 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.5 ttm105 -65.25 -34.08 77.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -53.66 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' HB3' HD11 ' A' ' 63' ' ' LEU . 3.8 mm? -64.09 -43.87 94.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.416 ' O ' ' CD1' ' A' ' 41' ' ' TYR . 11.4 t80 -63.61 -26.66 68.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 62.3 mt -90.99 -44.59 9.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.386 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -66.02 -26.25 67.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.279 -179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 43' ' ' LYS . 78.3 m95 -97.29 42.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.438 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.2 t-80 -95.07 140.73 22.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 53' ' ' HIS . 48.3 Cg_endo -68.75 -27.72 31.31 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.424 2.083 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -74.45 -30.47 61.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -98.43 40.22 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -131.02 130.15 22.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.791 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.84 -65.43 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.437 2.091 . . . . 0.0 112.629 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -146.66 28.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.183 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -116.75 74.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.884 0.374 . . . . 0.0 110.848 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.447 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 2.3 t-160 -93.23 -40.87 10.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.12 -38.87 92.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.2 mt -75.17 -30.98 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.38 -30.61 64.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -32.07 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -74.14 -35.74 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 55' ' ' ILE . 34.2 t -77.98 -29.79 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -43.87 96.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.023 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -59.17 -55.36 35.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.005 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -59.22 -30.02 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -68.1 -44.88 75.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -80.03 -34.88 37.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.41 -34.89 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -70.61 -26.1 63.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mm -63.47 -60.46 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.266 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -61.32 -27.22 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.09 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -57.24 -46.59 82.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.3 mt -91.1 -40.55 11.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.983 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' OE2' ' CZ2' ' A' ' 26' ' ' TRP . 1.3 tp10 -55.91 -27.83 53.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -74.58 -55.23 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -70.54 -22.97 62.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.16 -29.55 23.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.284 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -86.44 -52.46 5.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.135 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.27 -30.21 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.081 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -67.01 91.91 0.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.918 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -87.19 123.74 32.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -137.29 -177.3 4.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.61 96.5 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.64 -32.57 7.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.97 129.94 39.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -171.97 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -82.24 145.65 29.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -95.62 147.05 23.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.63 160.43 40.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.4 p -137.74 90.82 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 mtm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.83 0.348 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -116.67 -39.88 3.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -60.05 -55.69 30.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -65.91 97.09 0.33 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.36 158.83 30.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -85.76 179.04 7.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -127.41 97.12 4.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.33 -177.75 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.67 88.33 2.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -69.14 119.25 6.25 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 112.367 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.98 -30.99 16.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -101.63 -8.42 46.06 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.834 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.653 ' O ' HD13 ' A' ' 14' ' ' ILE . 67.6 m 62.52 103.03 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.791 0.329 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.2 mm -137.18 -60.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.3 mp -62.06 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -59.26 -30.3 68.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -81.4 -34.93 31.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.3 t -64.7 -30.5 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -72.4 -26.14 61.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.065 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -81.28 -43.31 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.115 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 22' ' ' VAL . 9.3 p -69.26 -42.13 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 23' ' ' GLU . 11.4 p -58.3 -45.1 89.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.165 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 22' ' ' VAL . 9.7 pt-20 -67.98 -30.53 69.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.593 ' O ' HD11 ' A' ' 28' ' ' LEU . 4.4 mm-40 -65.44 -27.99 68.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.27 -6.29 59.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.712 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -98.58 26.9 5.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.771 0.32 . . . . 0.0 110.948 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' C ' HD13 ' A' ' 28' ' ' LEU . 43.9 mmtt -129.49 1.94 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.599 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.759 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -128.03 163.13 45.71 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.682 0.277 . . . . 0.0 110.971 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.39 172.08 2.13 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.691 2.261 . . . . 0.0 112.424 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.1 -24.86 57.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.284 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 m -53.32 -56.19 18.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.813 0.34 . . . . 0.0 111.112 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.99 -29.35 20.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.47 -50.25 65.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -74.58 -11.98 60.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.451 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -80.35 -30.41 38.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.782 0.325 . . . . 0.0 111.146 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.0 mm -82.55 -42.27 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.336 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 41.6 mm -64.45 -32.03 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -43.6 28.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -49.03 77.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.99 -47.4 74.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -60.01 -40.67 90.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 82.1 mt -77.44 -37.29 51.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -36.05 77.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.41 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 39.8 m95 -94.4 46.51 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.434 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 2.3 t-80 -95.37 140.4 22.37 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 50.1 Cg_endo -69.09 -28.1 28.86 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.148 . . . . 0.0 112.272 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.27 -26.43 42.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.62 30.74 2.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -129.74 143.96 51.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -62.71 -59.74 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.492 2.128 . . . . 0.0 112.357 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -149.49 80.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -142.35 82.99 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -84.97 -59.87 2.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.6 -31.16 46.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.628 ' O ' HG23 ' A' ' 59' ' ' VAL . 11.5 mt -67.66 -48.88 74.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.21 -28.86 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.0 -35.07 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.012 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.02 -42.33 73.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.989 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 55' ' ' ILE . 36.6 t -69.95 -29.96 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.193 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.95 -43.84 64.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -60.18 -32.19 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.431 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.0 t60 -82.76 -36.54 25.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.6 -43.97 58.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.794 ' HA ' HD12 ' A' ' 67' ' ' ILE . 4.7 tt0 -58.88 -43.44 90.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -35.12 70.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -61.54 -30.44 70.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.013 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.794 HD12 ' HA ' ' A' ' 64' ' ' GLN . 5.5 mt -71.68 -66.19 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.183 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -56.94 -24.08 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -66.16 -42.98 88.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.853 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -92.22 -37.82 12.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.6 -30.67 69.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.8 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -57.67 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.788 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -21.84 34.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.65 39.46 1.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.237 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -157.5 -45.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.2 mp -81.03 78.92 7.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -106.44 31.19 5.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -110.66 -30.89 7.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.027 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 62.39 149.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.11 172.63 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -147.08 -47.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 60.2 31.75 20.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.593 ' HB3' ' HD2' ' A' ' 86' ' ' ARG . . . -175.37 135.33 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.005 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.5 p -84.98 -60.74 1.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.967 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.7 117.52 34.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.593 ' HD2' ' HB3' ' A' ' 83' ' ' ALA . 4.4 mtp85 -121.16 106.8 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.2 t -136.05 137.35 41.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.874 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.891 0.377 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -114.61 -59.17 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.95 85.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.806 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.33 31.44 5.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -85.53 -47.19 10.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.32 125.75 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.94 156.12 21.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.45 -46.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 9' ' ' VAL . 10.8 p -127.64 110.37 20.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -51.56 93.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.37 2.047 . . . . 0.0 112.378 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.0 mtm180 -85.32 -37.29 20.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.59 -55.34 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.18 -168.44 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.759 0.314 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm 69.86 -64.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.43 HD22 ' H ' ' A' ' 15' ' ' LEU . 3.3 mm? -57.35 -35.83 70.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -69.29 -31.08 69.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.06 -31.24 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.692 ' O ' HG12 ' A' ' 22' ' ' VAL . 32.9 t -73.14 -35.5 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.2 m -70.28 -31.32 68.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -76.46 -50.2 14.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.487 HG13 ' N ' ' A' ' 22' ' ' VAL . 10.8 p -58.79 -44.89 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.8 p -68.35 -34.15 64.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.036 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -66.95 -36.26 81.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -79.93 -29.26 39.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.689 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -66.99 -13.45 61.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.479 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -95.5 23.16 6.24 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.676 0.274 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -124.21 0.59 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.397 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -127.07 158.93 67.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-O 120.704 0.288 . . . . 0.0 110.825 179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -55.74 166.12 3.07 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.716 2.277 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.7 pm0 -57.5 -24.97 58.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.257 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -55.01 -48.27 73.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.093 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -91.3 -31.4 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.784 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -53.49 -53.05 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -58.47 -31.47 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -67.59 -49.3 63.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.178 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 25' ' ' ALA . 21.8 mm -58.06 -27.19 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.421 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.7 mm -88.28 -43.0 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.275 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -57.67 -41.38 81.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -52.7 62.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.04 -35.35 76.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -70.85 -39.23 73.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.54 34.27 1.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -139.25 -40.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.942 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 88.7 m95 -94.23 35.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.138 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -90.57 111.59 48.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.739 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.553 ' HG3' ' HB3' ' A' ' 56' ' ' ALA . 72.0 Cg_exo -48.9 -37.36 36.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.505 2.137 . . . . 0.0 112.423 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.75 -61.88 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -60.94 -33.91 73.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.043 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -59.75 146.81 80.19 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.87 -62.53 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.512 2.141 . . . . 0.0 112.312 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -159.38 92.77 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -170.16 76.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.34 -6.84 58.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.444 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -109.1 -30.88 7.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.841 0.353 . . . . 0.0 110.975 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mt -81.14 -35.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.553 ' HB3' ' HG3' ' A' ' 46' ' ' PRO . . . -77.34 -41.75 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.91 -43.69 81.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -59.82 -51.07 71.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.039 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.942 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.2 t -66.19 -32.47 58.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.272 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -48.03 73.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.9 mttp -59.25 -37.28 77.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.002 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -74.23 -36.24 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 tp -72.01 -40.06 68.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -53.81 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -60.08 -30.83 69.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.001 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' CD ' HG11 ' A' ' 22' ' ' VAL . 4.1 mm-40 -62.63 -27.83 69.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.021 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 45.8 mt -64.07 -68.71 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -55.91 -28.3 56.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.056 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -45.27 92.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' CD1' HG22 ' A' ' 22' ' ' VAL . 3.8 mt -92.69 -38.71 11.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.088 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.83 -30.18 63.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -84.5 -47.74 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.36 -37.92 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.85 -33.12 65.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -71.15 -57.09 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.1 -52.34 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.96 32.53 19.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.809 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.02 86.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.5 p-10 -124.39 -44.25 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.57 161.6 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -118.63 -48.75 2.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -141.01 -55.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -78.05 144.16 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.2 -60.42 1.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -154.2 30.79 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -119.92 96.77 5.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 m -92.32 114.36 26.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.846 0.355 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -157.97 -64.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.97 -174.81 2.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -140.07 97.0 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -109.91 126.21 53.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -126.15 -44.33 1.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -129.39 54.61 1.81 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.33 -54.84 2.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 9' ' ' VAL . 10.4 p -82.39 112.8 39.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.07 177.39 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.433 2.089 . . . . 0.0 112.286 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -103.68 -43.14 5.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' C ' ' HG ' ' A' ' 13' ' ' SER . . . -126.4 28.03 4.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.406 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.467 ' HG ' ' C ' ' A' ' 12' ' ' GLY . 6.3 p 52.53 -90.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.488 0.185 . . . . 0.0 111.254 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.877 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.7 mm 64.51 -73.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.727 0.298 . . . . 0.0 111.426 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 7.9 mp -58.89 -59.58 5.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.097 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -52.97 -25.64 12.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.992 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -79.71 -30.55 41.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.824 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 14' ' ' ILE . 11.3 t -81.03 -31.11 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -66.24 -23.23 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.276 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.1 t -88.36 -51.91 5.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 111.072 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.6 p -58.18 -29.4 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.418 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -73.92 -43.24 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.358 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 22' ' ' VAL . 2.2 pt-20 -76.21 -27.48 56.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.116 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -70.73 -38.21 73.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.997 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.68 -37.68 55.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -51.94 -25.64 8.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -58.11 -30.32 66.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' GLU . 0.4 OUTLIER -80.58 153.61 73.48 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -57.91 -62.41 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.722 2.282 . . . . 0.0 112.217 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -177.56 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -54.26 -48.03 71.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.034 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' O ' HD12 ' A' ' 36' ' ' ILE . 51.2 mt-10 -92.83 -22.09 19.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 48.9 ttp180 -63.45 -53.31 54.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.215 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.64 32.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.34 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtmm -60.37 -28.51 68.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.21 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.4 mp -97.11 -33.37 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.213 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.5 mm -78.99 -54.6 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.196 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 ttp-105 -58.02 -30.89 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -72.33 -59.8 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.1 mm? -62.49 -35.27 78.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -61.47 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.12 -31.45 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.735 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 43.1 m95 -94.26 45.87 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -106.35 140.4 21.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.33 -37.54 10.05 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.51 2.14 . . . . 0.0 112.233 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.32 -39.7 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.55 -33.79 41.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -61.04 151.36 75.25 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.43 -57.07 2.3 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.523 2.149 . . . . 0.0 112.299 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -169.4 81.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -137.77 106.02 5.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -92.82 -54.75 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.56 -39.48 16.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.53 -46.93 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.04 -34.27 74.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.08 -35.25 77.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.48 -49.41 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.735 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.6 t -67.74 -37.32 78.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -36.37 79.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -60.02 -43.29 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -74.16 -33.16 63.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 tp -73.87 -58.51 3.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -52.67 -52.6 55.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.275 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -58.55 -26.46 63.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -75.14 -30.29 60.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.992 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.1 mt -65.85 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.176 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.13 -25.48 32.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -71.79 -51.55 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.7 mt -79.09 -47.13 16.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -55.89 -29.39 59.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.036 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.33 -63.06 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -56.91 -30.98 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.21 -30.24 69.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -88.51 -29.49 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp -91.36 48.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -94.68 -32.3 13.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.711 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.93 -43.31 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.792 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -92.87 99.52 12.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.11 -37.16 64.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.166 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -130.05 133.5 46.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.29 -172.39 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 62.17 101.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -111.32 129.83 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -98.3 166.24 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.34 133.16 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 88' ' ' PHE . 4.5 t -142.02 -48.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.41 ' N ' HG23 ' A' ' 87' ' ' THR . 30.7 m-85 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.834 0.35 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -117.71 175.76 5.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 60.68 164.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -108.76 30.45 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -154.78 103.23 2.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.84 169.47 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -149.52 -69.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.2 tp -156.36 -49.09 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 t 62.37 100.58 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.36 150.84 7.46 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.511 2.141 . . . . 0.0 112.409 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -151.6 103.75 2.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.61 -1.93 85.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.851 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m 61.16 32.63 19.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.2 mm -107.05 -41.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.19 -40.9 58.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.95 -38.39 82.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.72 -36.86 84.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.2 t -68.93 -28.33 39.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.282 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -76.41 -22.11 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.232 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.5 t -86.46 -44.15 12.22 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.723 0.297 . . . . 0.0 111.163 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.19 -32.59 48.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.333 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.4 p -67.12 -44.41 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.22 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -68.96 -27.69 65.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -78.07 -20.34 52.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.771 ' HA ' HD11 ' A' ' 28' ' ' LEU . . . -89.33 -5.92 57.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.549 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -99.34 26.57 5.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.739 0.304 . . . . 0.0 111.131 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.717 ' HE3' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -130.29 5.76 4.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.405 179.866 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -128.05 157.67 73.27 Favored Pre-proline 0 C--N 1.332 -0.157 0 CA-C-O 120.661 0.267 . . . . 0.0 110.938 179.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.4 174.5 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -57.93 -27.28 63.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.8 m -55.24 -41.78 72.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -95.89 -32.81 12.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.89 -39.88 75.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.951 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -9.13 58.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.43 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -93.31 -42.0 9.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.742 0.306 . . . . 0.0 111.098 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG21 ' HB2' ' A' ' 25' ' ' ALA . 25.8 mm -69.05 -49.09 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.284 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.9 mm -65.5 -45.58 92.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.199 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.1 ttm-85 -61.31 -46.69 89.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.03 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -59.67 -44.36 93.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.1 mm? -70.38 -31.33 68.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -74.42 -30.89 62.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.0 mt -86.62 -35.78 19.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -35.57 71.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.996 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.692 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 82.5 m95 -98.4 36.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -94.5 128.35 40.52 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.76 -35.06 95.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.55 2.166 . . . . 0.0 112.176 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.67 -33.17 75.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -20.02 57.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -116.55 82.23 12.18 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.971 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.76 -27.44 77.91 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.666 2.244 . . . . 0.0 112.236 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.4 -67.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -89.8 85.15 6.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.035 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.88 -1.9 51.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.383 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.98 -31.33 8.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 34.9 mm -68.46 -29.64 44.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.26 60.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.084 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.17 -42.0 94.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.02 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' HG3' HG23 ' A' ' 59' ' ' VAL . 2.4 pt-20 -63.25 -26.85 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.077 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.692 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 37.4 t -91.93 -26.43 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.024 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.59 -36.37 70.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.6 ptmt -63.42 -44.46 94.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -76.31 -31.02 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.3 tp -67.48 -30.65 70.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.04 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.33 -45.63 9.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -30.37 68.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.038 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -69.51 -28.45 66.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.009 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.1 mt -63.5 -56.92 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -69.07 -22.87 63.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -68.5 -45.83 71.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.085 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 78.4 mt -88.59 -37.32 15.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.206 -179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -66.54 -24.9 66.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.174 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -92.58 -56.08 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.075 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -57.76 -45.36 86.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.177 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -62.98 -54.38 39.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.17 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -58.71 -44.91 90.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mp -87.07 59.41 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -119.9 -53.03 2.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -146.51 134.03 20.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -137.42 104.06 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -151.02 150.77 31.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.82 101.14 7.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 60.64 101.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.88 -175.42 2.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.047 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 80.5 p -125.86 147.2 49.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.1 -39.76 3.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.9 160.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.37 -68.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.4 t80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.89 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mpp? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.745 0.307 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.05 160.51 31.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 61.18 105.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -100.34 -31.98 11.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -106.57 -172.18 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.83 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.0 t60 -51.67 110.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.022 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -56.03 128.57 35.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.115 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 HD12 ' HD3' ' A' ' 10' ' ' PRO . 1.6 pp -161.02 150.28 16.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 m -113.82 93.55 29.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.24 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD3' HD12 ' A' ' 8' ' ' LEU . 51.3 Cg_exo -53.22 -56.52 2.67 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.536 2.157 . . . . 0.0 112.232 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.74 92.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.7 -45.84 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.563 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.64 40.17 16.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.583 ' O ' HG23 ' A' ' 18' ' ' VAL . 26.0 mm -115.94 -55.09 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.05 -32.55 73.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.25 -32.97 63.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.5 -31.93 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 14' ' ' ILE . 27.9 t -75.03 -28.53 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.4 m -70.66 -26.1 63.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.8 t -86.92 -47.53 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.126 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.3 p -65.93 -26.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.455 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 18' ' ' VAL . 12.9 p -76.98 -40.24 30.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.35 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -26.91 59.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.84 -28.15 62.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.078 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.562 ' CB ' HD13 ' A' ' 36' ' ' ILE . . . -74.9 -39.73 61.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.333 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -53.88 -27.18 28.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -61.05 -28.26 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.886 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.74 153.8 64.56 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -57.18 -74.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HA ' ' HB3' ' A' ' 33' ' ' ARG . 6.5 pt-20 -159.45 -43.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.104 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 71.0 m -51.8 -65.39 0.57 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 36' ' ' ILE . 4.5 mt-10 -76.54 -18.15 58.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.184 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.509 ' O ' HD12 ' A' ' 37' ' ' ILE . 4.3 ttt180 -66.94 -59.12 3.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.809 0.337 . . . . 0.0 111.028 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -24.67 59.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.358 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -57.77 -36.86 72.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.207 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 32' ' ' GLU . 3.6 mp -76.54 -41.86 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.213 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.587 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.4 mp -72.99 -28.69 27.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -28.7 65.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -78.42 -54.82 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.027 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 40' ' ' LEU . 4.2 mm? -58.35 -35.23 71.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.11 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -72.25 -37.26 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.3 mt -98.31 30.75 3.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.56 -42.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.902 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 73.9 m95 -95.53 38.2 1.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.024 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -89.25 118.61 69.31 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.71 -34.78 85.44 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.451 2.101 . . . . 0.0 112.388 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -54.8 -34.24 62.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -105.92 46.69 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -143.18 134.92 12.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.0 -44.05 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.607 2.205 . . . . 0.0 112.493 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.56 36.94 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.421 HD22 ' HB2' ' A' ' 56' ' ' ALA . 1.2 t30 -117.87 28.63 8.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -26.48 67.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.85 -33.91 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.008 0.433 . . . . 0.0 110.655 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.7 mt -69.61 -30.91 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.799 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HB2' HD22 ' A' ' 52' ' ' ASN . . . -85.14 -38.66 18.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.015 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -33.68 73.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.49 -44.7 77.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.902 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.8 t -73.35 -30.5 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -31.98 73.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -68.12 -61.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -60.46 -30.2 69.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.064 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 tp -70.32 -42.84 71.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.065 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -80.37 -44.81 18.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.991 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -29.79 64.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.013 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.5 ' CD ' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -74.16 -26.35 60.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 32.1 mm -61.84 -68.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.244 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -55.63 -30.94 61.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.041 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -61.78 -48.19 81.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.549 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 27.2 mt -83.97 -46.09 12.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -55.5 -25.86 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.088 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 -64.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -59.11 -28.31 66.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.987 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -95.41 41.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -139.16 -46.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mp -69.58 -35.4 75.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.18 -164.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.761 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -98.01 -178.92 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -156.3 -46.77 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.96 142.29 29.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' OD2' ' HB3' ' A' ' 83' ' ' ALA . 13.2 p-10 -170.63 -176.16 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.2 mtt-85 -60.23 -31.88 70.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB3' ' OD2' ' A' ' 81' ' ' ASP . . . -76.34 101.22 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.5 t -81.93 152.43 26.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 mtm105 -123.06 144.29 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.19 30.33 19.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.0 m -133.75 -65.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 p90 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.914 -179.885 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.798 0.332 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.53 154.61 27.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -167.35 34.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.51 112.02 5.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.79 32.99 5.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.22 102.49 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.446 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -115.78 93.58 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -171.16 165.27 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -149.09 146.16 20.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HB2' ' HB2' ' A' ' 13' ' ' SER . 69.7 Cg_exo -51.34 141.95 38.88 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.528 2.152 . . . . 0.0 112.36 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.64 68.15 2.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 110.753 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.49 -58.76 0.4 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.693 ' O ' HD13 ' A' ' 14' ' ' ILE . 25.0 t 61.07 19.66 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.671 0.272 . . . . 0.0 111.145 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.693 HD13 ' O ' ' A' ' 13' ' ' SER . 25.9 mm -144.4 -54.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.044 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 62' ' ' HIS . 7.5 mp -59.39 -31.74 69.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -30.09 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -86.06 -31.05 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 14' ' ' ILE . 21.4 t -71.96 -32.5 44.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.0 m -67.22 -23.62 65.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 71.0 m -86.02 -45.91 11.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.062 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' A' ' 18' ' ' VAL . 10.9 p -67.97 -33.24 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.359 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 18' ' ' VAL . 11.7 p -70.11 -44.53 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.28 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.481 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.8 pt-20 -65.77 -37.3 85.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -66.23 -28.43 68.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.522 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.01 -17.22 59.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB3' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -87.13 49.13 1.76 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.015 0.436 . . . . 0.0 111.004 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.09 -41.7 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.491 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.85 156.24 26.48 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.74 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -54.72 -65.06 0.12 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.642 2.228 . . . . 0.0 112.302 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -173.85 -40.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.084 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -54.84 -64.42 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -24.4 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -58.94 -68.09 0.3 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.131 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -25.45 16.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.32 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -64.86 -24.16 67.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.272 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' HB2' ' A' ' 25' ' ' ALA . 17.1 mm -82.51 -39.02 15.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.332 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.596 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.6 mp -81.09 -44.04 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.086 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -26.11 63.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.43 -51.65 8.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.61 -36.87 79.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -65.17 -30.17 71.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.046 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -96.87 -34.84 11.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -32.4 73.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.573 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.9 m95 -99.57 37.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -98.07 137.67 20.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.799 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.69 -41.12 3.31 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.495 2.13 . . . . 0.0 112.303 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -29.77 69.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -99.51 40.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -140.68 165.2 31.44 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -69.07 -47.83 1.03 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.569 2.18 . . . . 0.0 112.362 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.7 89.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.501 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 35.8 p-10 -153.22 60.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.91 -5.72 49.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.448 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -111.83 -32.6 6.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.763 0.316 . . . . 0.0 111.034 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.3 mt -80.98 -54.1 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB2' ' ND2' ' A' ' 52' ' ' ASN . . . -58.33 -45.03 88.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.146 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -59.39 -38.08 79.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -62.95 -47.07 84.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 21.4 t -71.02 -33.7 52.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -31.16 70.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -59.5 -55.05 39.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.432 ' CD2' ' HG ' ' A' ' 15' ' ' LEU . 27.4 t60 -63.83 -33.49 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.93 -41.57 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -61.66 -38.62 88.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.45 -14.82 51.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -86.79 7.73 25.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.533 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 10.8 mt -112.56 -53.86 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.77 0.319 . . . . 0.0 111.005 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -60.08 -32.34 70.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.1 -33.46 74.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.822 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HB3' ' NE1' ' A' ' 26' ' ' TRP . 91.1 mt -95.67 -35.98 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.5 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -44.59 82.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -65.95 -34.16 77.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -96.03 24.43 5.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -151.54 29.79 0.61 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CD1' ' NE2' ' A' ' 78' ' ' GLN . 3.4 t80 -151.67 -45.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.733 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.64 -49.07 77.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -101.48 -50.46 3.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.428 ' NE2' ' CD1' ' A' ' 75' ' ' PHE . 4.4 mt-30 60.12 96.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -147.99 169.19 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -110.03 149.75 29.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.063 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.5 t70 60.27 97.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 142.55 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . 60.47 102.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.33 -67.21 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -128.42 108.94 10.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 52.5 mtt180 -84.73 -45.6 12.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -65.78 155.22 36.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.79 0.329 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.9 t60 61.57 60.24 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -62.16 170.43 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.52 160.62 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -100.39 -63.75 1.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -89.56 178.57 6.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -157.59 125.07 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -144.51 113.79 6.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.485 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 3.3 t -83.75 -46.67 0.77 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.448 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 30.3 Cg_exo -61.64 166.16 12.26 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.411 2.074 . . . . 0.0 112.257 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -100.19 -45.76 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -146.36 37.44 1.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 p 57.48 101.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 0.0 110.997 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.697 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.4 mm -126.68 -62.11 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.4 mm? -67.35 -34.35 77.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -33.41 62.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.63 -31.77 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.876 ' O ' HG23 ' A' ' 22' ' ' VAL . 28.5 t -68.71 -54.26 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.9 m -56.15 -30.28 61.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.8 m -69.52 -47.45 63.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 18' ' ' VAL . 8.5 p -70.59 -30.49 42.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 18' ' ' VAL . 53.0 t -70.03 -35.76 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.077 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -82.58 -31.03 29.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -77.1 -30.8 55.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -76.47 -35.5 58.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -54.89 -25.9 32.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.254 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -59.3 -29.68 67.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.7 OUTLIER -79.5 153.38 76.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_endo -56.63 -71.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.623 2.216 . . . . 0.0 112.331 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -166.52 -42.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -52.94 -54.46 34.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.081 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.58 -28.09 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' HA ' HD12 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -58.63 -60.5 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.986 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.68 60.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -62.52 -30.38 71.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.051 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.43 HG21 ' HB2' ' A' ' 25' ' ' ALA . 18.8 mm -73.98 -45.8 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 34.6 mm -66.61 -30.73 50.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -62.7 -37.6 87.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -52.35 65.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.4 mm? -69.07 -42.11 76.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -57.82 -31.4 66.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.3 mt -97.35 -30.62 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -34.54 61.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.676 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 69.8 m95 -98.53 31.53 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.984 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -85.71 128.9 56.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.806 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -32.54 39.36 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.443 2.095 . . . . 0.0 112.233 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.22 -30.78 69.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -95.09 -31.82 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.77 152.63 75.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.65 -62.17 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.616 2.21 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -176.44 111.21 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -177.03 86.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.87 -13.35 60.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.386 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.04 -54.67 2.83 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 111.059 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.5 mt -62.91 -32.93 57.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.43 -55.94 6.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.221 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -58.9 -31.33 68.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -62.17 -51.21 68.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.676 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.6 t -73.81 -30.76 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -39.07 71.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.63 -31.1 67.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.064 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -78.29 -29.65 48.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 tp -78.38 -40.7 35.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 67' ' ' ILE . 6.9 mm-40 -58.16 -64.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -29.27 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.208 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -61.65 -27.91 69.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.184 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.9 mt -75.02 -69.77 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.296 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -53.61 -25.05 15.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.252 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.2 ttt-85 -66.21 -44.54 83.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.973 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 27.5 mt -92.59 -35.4 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.145 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -34.1 67.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.7 ttpp -73.16 -55.81 5.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.429 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 4.1 pt20 -63.34 -26.11 68.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.86 41.02 1.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.621 ' HB3' HD12 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -164.16 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.754 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.621 HD12 ' HB3' ' A' ' 75' ' ' PHE . 5.6 mp -104.66 92.09 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -118.56 -51.16 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 68.72 -67.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -89.8 83.67 6.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.66 -40.41 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 60.78 83.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.99 -47.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -158.61 141.26 14.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.44 165.32 12.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 116.48 7.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -96.2 134.39 39.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.6 t -143.33 144.73 32.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.899 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.877 0.37 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -137.14 -66.22 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -90.36 174.4 7.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.942 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -130.07 123.81 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 61.85 108.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.964 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 59.4 172.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -99.15 168.81 9.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -133.43 94.44 3.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 10' ' ' PRO . 2.8 t -84.29 -47.17 0.71 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.321 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 9' ' ' VAL . 30.1 Cg_exo -61.76 124.48 14.63 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.446 2.097 . . . . 0.0 112.227 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -118.72 33.91 5.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.78 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.88 48.73 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.83 -168.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 110.728 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.3 mm 69.83 -64.93 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mp -55.52 -38.41 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -61.77 -32.4 72.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.53 -31.81 42.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.802 HG13 HD12 ' A' ' 63' ' ' LEU . 29.5 t -65.03 -33.84 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.078 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -77.7 -27.24 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.5 m -79.51 -41.44 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 22' ' ' VAL . 8.9 p -68.87 -40.61 81.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.255 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.1 p -65.67 -45.12 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.209 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 22' ' ' VAL . 13.1 pt-20 -66.44 -32.75 74.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -69.36 -35.5 75.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HA ' HD21 ' A' ' 28' ' ' LEU . . . -76.98 -5.17 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.541 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -96.53 21.76 8.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.775 0.322 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -118.56 -15.1 9.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.462 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -114.88 164.01 17.92 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.731 0.301 . . . . 0.0 110.787 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.77 170.0 2.96 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.539 2.159 . . . . 0.0 112.31 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.96 -24.35 37.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.289 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -53.66 55.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.058 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.57 -28.79 26.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.95 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -59.09 5.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -27.21 67.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -63.36 -42.04 98.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.207 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mm -71.81 -49.41 45.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.292 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 36.3 mm -60.7 -29.57 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.132 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -53.8 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.07 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -59.63 -30.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -82.53 -42.62 18.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -66.52 -30.48 70.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.2 mt -84.48 -47.3 10.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.01 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -36.89 77.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.569 ' CH2' HG21 ' A' ' 59' ' ' VAL . 60.4 m95 -97.81 51.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -113.02 120.08 41.28 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.471 ' HG3' ' HB1' ' A' ' 56' ' ' ALA . 52.3 Cg_exo -54.93 -30.98 71.64 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.441 2.094 . . . . 0.0 112.271 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.07 -34.91 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.8 mmpt? -79.39 -34.72 41.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.69 155.15 91.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.13 -61.84 0.45 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.604 2.203 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.95 104.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -166.92 109.03 0.68 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -94.19 -61.54 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.081 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -51.29 69.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.8 mt -59.07 -41.27 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.249 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.471 ' HB1' ' HG3' ' A' ' 46' ' ' PRO . . . -72.49 -55.08 7.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.44 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -52.32 -38.99 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.246 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -58.08 -54.71 43.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.13 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.569 HG21 ' CH2' ' A' ' 44' ' ' TRP . 21.9 t -69.74 -36.87 72.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.217 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -60.32 -58.23 9.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.006 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -61.55 -37.81 85.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.802 HD12 HG13 ' A' ' 18' ' ' VAL . 2.0 tp -67.96 -51.5 46.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.033 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.708 ' HA ' HD12 ' A' ' 67' ' ' ILE . 11.8 tt0 -64.42 -30.46 71.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -29.02 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.222 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.753 ' OE1' HG12 ' A' ' 18' ' ' VAL . 3.9 mt-10 -67.69 -29.34 68.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.09 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.708 HD12 ' HA ' ' A' ' 64' ' ' GLN . 8.5 mt -64.23 -68.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.203 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -56.24 -29.38 60.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -61.74 -41.84 98.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 22' ' ' VAL . 72.7 mt -92.34 -35.95 13.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.7 92.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.019 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.18 -55.59 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 70' ' ' LEU . 5.1 pt20 -57.77 -26.2 61.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.052 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.89 36.69 1.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.18 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.1 -46.98 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.847 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.88 75.45 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -149.86 72.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -147.95 -47.35 0.16 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -70.67 130.1 40.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.33 137.09 54.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.73 106.38 11.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -164.79 94.39 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -152.13 174.71 13.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.05 167.22 21.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.24 105.98 0.24 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.947 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.38 -61.77 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -109.85 35.55 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.12 157.73 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.62 112.77 3.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -156.72 -68.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -150.02 77.39 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -158.47 -60.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -88.02 114.08 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.75 170.4 3.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.9 t -89.24 138.93 28.56 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.36 -45.9 36.56 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.424 2.082 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.06 30.09 17.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.26 -106.29 0.32 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -169.17 103.63 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.553 HG23 ' CZ2' ' A' ' 44' ' ' TRP . 30.4 mm -127.78 -67.31 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.6 mm? -64.67 -45.55 86.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.99 -30.64 70.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' O ' HG13 ' A' ' 21' ' ' VAL . 3.9 tp10 -67.05 -31.71 72.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 21' ' ' VAL . 21.7 t -74.69 -27.64 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.201 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -75.73 -29.54 58.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -81.78 -39.19 24.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 17' ' ' GLU . 35.0 m -68.72 -41.73 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.315 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG11 ' OE1' ' A' ' 66' ' ' GLU . 11.0 p -63.41 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG13 ' A' ' 22' ' ' VAL . 17.9 pt-20 -63.95 -35.59 81.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -83.64 -30.89 26.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.013 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -66.73 -22.62 66.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.398 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.44 21.08 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -111.81 -22.75 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -101.77 166.95 11.29 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.789 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -71.97 174.32 11.44 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.574 2.183 . . . . 0.0 112.253 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -53.63 -24.95 15.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -59.82 -64.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.2 -35.69 35.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.487 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -51.85 -54.08 33.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.282 -179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -58.34 -25.75 62.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.326 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -77.91 -6.54 54.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.783 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.766 HG21 ' HB2' ' A' ' 25' ' ' ALA . 24.1 mm -95.66 -33.33 4.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.711 0.291 . . . . 0.0 111.385 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.4 mp -85.39 -39.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.293 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -26.86 68.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.068 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -80.3 -46.79 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.189 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.76 -32.52 57.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.024 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -71.71 -34.28 69.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.999 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -98.01 29.28 3.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.404 ' HD2' ' CD1' ' A' ' 44' ' ' TRP . 0.0 OUTLIER -133.05 -43.83 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.777 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 92.0 m95 -97.47 30.67 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.979 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -90.05 122.68 67.45 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.751 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.3 -37.12 80.64 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.479 2.12 . . . . 0.0 112.375 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 -29.95 58.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.036 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.06 39.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.008 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.457 ' ND2' ' HB2' ' A' ' 56' ' ' ALA . 54.5 m-20 -130.87 151.21 78.49 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.007 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.42 -62.15 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.631 2.22 . . . . 0.0 112.379 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -144.72 -43.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.191 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.538 ' HB2' HD12 ' A' ' 55' ' ' ILE . 15.4 p-10 -53.21 90.8 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.94 -21.3 17.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.05 -56.01 4.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.968 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.538 HD12 ' HB2' ' A' ' 52' ' ' ASN . 2.0 mt -56.11 -25.53 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.347 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.457 ' HB2' ' ND2' ' A' ' 49' ' ' ASN . . . -75.02 -35.02 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.183 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.21 -47.23 77.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 59' ' ' VAL . 7.3 pt-20 -55.53 -32.82 63.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.184 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.777 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 31.8 t -88.28 -35.19 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.14 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.415 ' CE2' ' NE2' ' A' ' 64' ' ' GLN . 1.4 t80 -72.04 -29.66 64.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -30.09 68.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.46 -33.61 25.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -62.58 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' NE2' ' CE2' ' A' ' 60' ' ' PHE . 71.7 mt-30 -53.41 -30.25 39.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.242 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -82.06 -35.79 28.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.973 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.492 ' OE1' HG11 ' A' ' 22' ' ' VAL . 10.3 mm-40 -60.48 -25.21 65.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 35.2 mt -63.48 -67.66 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.5 p30 -54.86 -27.03 39.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -49.83 75.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' CD1' HG22 ' A' ' 22' ' ' VAL . 44.7 mt -89.32 -30.7 18.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.002 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.21 -29.99 67.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.849 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -82.71 -44.83 15.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -66.75 -29.66 69.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.9 40.2 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.059 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -148.11 -47.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.0 mp -83.37 76.2 9.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -163.16 -44.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 60.39 35.11 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.13 89.36 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -98.42 31.17 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.92 -75.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 59.06 175.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -150.32 61.45 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 69.65 -65.05 0.32 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 66.97 87.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.8 ptt85 -131.78 -45.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 p 61.28 153.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.928 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.815 0.34 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -89.83 145.14 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -148.24 -178.18 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.3 m80 61.27 156.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.12 168.72 11.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -82.87 -177.33 6.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.8 m170 60.85 156.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 mp -96.47 -177.1 3.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 t 66.42 119.04 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -52.08 -35.73 63.05 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.507 2.138 . . . . 0.0 112.316 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? 59.72 31.33 20.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.75 100.05 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.433 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.727 ' O ' HD13 ' A' ' 14' ' ' ILE . 59.6 m -66.32 131.56 46.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 24.8 mm -142.28 -46.77 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -64.15 -53.5 48.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.61 68.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -70.62 -40.07 73.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' ILE . 24.0 t -67.81 -28.78 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 50.3 m -64.62 -25.16 67.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 m -84.9 -47.68 10.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.109 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.559 HG12 ' HA ' ' A' ' 18' ' ' VAL . 11.3 p -67.72 -37.03 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.271 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 18' ' ' VAL . 13.2 p -63.75 -44.66 98.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.135 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 22' ' ' VAL . 14.2 pt-20 -69.87 -36.4 75.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -66.04 -15.77 63.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -92.71 -6.59 48.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.655 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -94.94 27.09 3.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.756 0.312 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 4.61 6.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.98 155.99 35.88 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.724 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -53.16 -61.87 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.531 2.154 . . . . 0.0 112.214 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -178.77 -39.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.996 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.9 m -53.27 -63.94 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.11 -25.98 60.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -56.88 -66.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.17 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -57.28 -22.46 41.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.315 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -67.83 -30.9 70.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.282 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.71 HG21 ' HB2' ' A' ' 25' ' ' ALA . 30.0 mm -68.37 -37.42 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.224 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.1 mp -76.66 -32.97 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -68.06 -29.35 68.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -30.76 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -95.17 -30.89 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.03 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -72.39 -38.47 68.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.024 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 85.8 mt -95.33 20.27 9.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.19 -40.55 1.64 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.636 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 71.7 m95 -96.08 25.08 5.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.418 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 7.9 t-80 -75.44 139.55 71.5 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 45' ' ' HIS . 69.4 Cg_endo -74.35 -40.93 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.437 2.092 . . . . 0.0 112.302 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.77 -30.69 70.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -85.05 -40.27 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.971 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -79.25 111.98 24.66 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.34 -43.29 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.424 2.083 . . . . 0.0 112.392 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -79.11 -59.71 2.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.049 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -64.6 81.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -81.94 -54.72 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.63 -33.67 18.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.795 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.85 -42.97 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.9 -47.77 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.24 -33.36 75.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -60.26 -52.89 63.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.636 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 23.1 t -69.62 -32.23 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -61.94 -40.72 96.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -49.84 76.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.007 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.434 ' CG ' HD12 ' A' ' 15' ' ' LEU . 15.5 t60 -66.37 -35.02 79.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.87 -62.11 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -59.7 -47.62 84.94 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.24 -27.68 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -77.55 -10.84 59.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.392 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 29.2 mm -81.54 -42.23 19.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.749 0.309 . . . . 0.0 111.342 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -63.33 -37.99 89.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -31.23 68.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 72.3 mt -94.75 -46.77 6.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.648 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -60.38 -29.87 69.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.884 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -63.48 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -25.61 63.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 70' ' ' LEU . . . -95.53 40.75 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -138.97 -47.51 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mp -61.56 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.75 137.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -102.92 97.28 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -121.86 150.42 41.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.34 174.02 10.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.86 109.2 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -167.42 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.09 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.39 116.38 27.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.32 -60.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.84 164.43 32.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.46 166.3 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.897 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.829 0.347 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.16 131.32 47.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 59.27 25.91 14.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 55.79 30.11 15.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.089 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -86.23 127.45 34.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -114.99 154.69 28.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -96.39 164.81 12.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.93 171.6 12.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.46 100.32 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.5 179.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.543 2.162 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -137.95 -58.29 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -136.03 28.6 2.92 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.58 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m 59.74 37.93 21.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.893 0.378 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.767 ' O ' HG23 ' A' ' 18' ' ' VAL . 25.8 mm -99.24 -43.54 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.1 mm? -75.24 -46.12 35.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -59.71 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -66.07 -38.25 87.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 14' ' ' ILE . 28.5 t -71.93 -25.96 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 m -80.49 -20.65 43.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.161 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 t -87.32 -30.73 20.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.76 -37.44 48.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.178 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 23' ' ' GLU . 12.3 p -63.12 -44.99 99.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.067 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -71.65 -28.18 63.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.899 179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -86.75 -20.62 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.05 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 36' ' ' ILE . . . -93.21 -10.5 35.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.58 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -94.64 26.59 3.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.743 0.306 . . . . 0.0 111.285 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.77 8.8 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.011 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 33' ' ' ARG . 0.4 OUTLIER -104.72 156.29 36.17 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.64 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 28' ' ' LEU . 10.8 Cg_endo -53.38 -63.28 0.24 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.537 2.158 . . . . 0.0 112.163 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.79 -39.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.036 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -55.11 -65.34 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -24.69 62.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 28' ' ' LEU . 27.9 ttp180 -57.88 -70.06 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.056 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -55.77 -23.52 30.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.415 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -63.26 -38.11 89.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.139 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.505 ' O ' HD23 ' A' ' 40' ' ' LEU . 35.8 mm -64.74 -42.9 96.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.187 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.576 ' H ' HD12 ' A' ' 37' ' ' ILE . 4.7 mp -80.42 -30.08 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.114 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.21 -30.33 71.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -47.27 14.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 ' O ' ' A' ' 36' ' ' ILE . 4.3 mm? -60.65 -44.98 95.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.993 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -67.29 -31.83 72.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 77.9 mt -98.09 34.47 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.93 -42.44 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.895 ' CZ3' HG21 ' A' ' 59' ' ' VAL . 79.7 m95 -95.11 31.89 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.093 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -85.33 126.29 67.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.769 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -62.63 -23.48 74.7 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.455 2.103 . . . . 0.0 112.421 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.22 -34.73 61.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 mmpp? -101.22 30.24 4.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -137.87 78.58 35.53 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -59.83 -27.78 85.72 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.697 2.265 . . . . 0.0 112.614 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.8 -48.03 3.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.37 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -84.81 61.06 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.937 0.398 . . . . 0.0 111.046 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.72 -17.17 28.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.16 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -85.48 -39.06 17.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.845 0.355 . . . . 0.0 110.942 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.44 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.5 mm -65.24 -43.33 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.47 -47.12 83.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -59.16 -35.03 72.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -47.86 71.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.895 HG21 ' CZ3' ' A' ' 44' ' ' TRP . 25.2 t -70.4 -31.53 47.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.79 -37.83 82.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 mttt -59.45 -40.92 88.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -81.37 -30.96 33.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 tp -67.47 -29.07 68.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.018 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -91.0 -36.84 13.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -44.07 91.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -60.9 -27.58 68.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 33.9 mm -63.36 -66.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -56.29 -30.8 62.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.978 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -59.63 -46.59 88.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 mt -87.14 -45.31 10.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -55.79 -29.01 58.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -59.93 2.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -57.17 -42.98 82.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.75 -29.98 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.298 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -83.62 -45.27 13.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.4 mp -73.04 -68.13 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.87 -78.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -165.72 102.48 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -117.17 -54.55 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -153.5 140.57 19.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.118 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -66.54 93.17 0.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.12 101.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.95 126.26 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 48.4 p -165.23 142.55 5.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -141.26 138.65 33.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.56 -46.61 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.8 t -151.22 132.66 14.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.217 -0.896 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 stop_ save_